94H

~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide

Created:	2017-04-18
Last modified:	2017-07-12

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1 entries where 94H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	21

2D diagram of 94H

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Chemical Component Summary
Name	~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
Formula	C₂₀ H₁₈ N₄ O S
Molecular Weight	362.448
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC[CH](NC(=O)c1scc(c1)c2c[nH]c3ncccc23)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C(CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4
Canonical SMILES	CACTVS	3.385	NC[C@H](NC(=O)c1scc(c1)c2c[nH]c3ncccc23)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)[C@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4
InChI	InChI	1.03	InChI=1S/C20H18N4OS/c21-10-17(13-5-2-1-3-6-13)24-20(25)18-9-14(12-26-18)16-11-23-19-15(16)7-4-8-22-19/h1-9,11-12,17H,10,21H2,(H,22,23)(H,24,25)/t17-/m0/s1
InChIKey	InChI	1.03	ZNBOMXQVNVLXCZ-KRWDZBQOSA-N

Related Resource References

Resource Name	Reference
PubChem	129012087

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