A1H7T

2-[[5-[(2~{R})-2,4-dimethyl-3-oxidanylidene-piperazin-1-yl]-2,3-dihydro-1,3-thiazol-4-yl]sulfonyl]benzenecarbonitrile

Created:	2024-04-05
Last modified:	2024-12-11

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1 entries where A1H7T is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	6

2D diagram of A1H7T

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Chemical Component Summary
Name	2-[[5-[(2~{R})-2,4-dimethyl-3-oxidanylidene-piperazin-1-yl]-2,3-dihydro-1,3-thiazol-4-yl]sulfonyl]benzenecarbonitrile
Systematic Name (OpenEye OEToolkits)	2-[[5-[(2~{R})-2,4-dimethyl-3-oxidanylidene-piperazin-1-yl]-2,3-dihydro-1,3-thiazol-4-yl]sulfonyl]benzenecarbonitrile
Formula	C₁₆ H₁₈ N₄ O₃ S₂
Molecular Weight	378.469
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH]1N(CCN(C)C1=O)C2=C(NCS2)[S](=O)(=O)c3ccccc3C#N
SMILES	OpenEye OEToolkits	2.0.7	CC1C(=O)N(CCN1C2=C(NCS2)S(=O)(=O)c3ccccc3C#N)C
Canonical SMILES	CACTVS	3.385	C[C@H]1N(CCN(C)C1=O)C2=C(NCS2)[S](=O)(=O)c3ccccc3C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H]1C(=O)N(CCN1C2=C(NCS2)S(=O)(=O)c3ccccc3C#N)C
InChI	InChI	1.06	InChI=1S/C16H18N4O3S2/c1-11-15(21)19(2)7-8-20(11)16-14(18-10-24-16)25(22,23)13-6-4-3-5-12(13)9-17/h3-6,11,18H,7-8,10H2,1-2H3/t11-/m1/s1
InChIKey	InChI	1.06	HLDSSZGQRKEKAO-LLVKDONJSA-N

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