BYH

1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione

Created:	2010-11-09
Last modified:	2011-06-04

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1 entries where BYH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	16

2D diagram of BYH

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Chemical Component Summary
Name	1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione
Systematic Name (OpenEye OEToolkits)	1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-benzimidazole-2-thione
Formula	C₁₇ H₁₆ N₄ S₂
Molecular Weight	340.466
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	S=C2N(c1ccccc1N2CCSc4nc3ccccc3n4)C
SMILES	CACTVS	3.370	CN1C(=S)N(CCSc2[nH]c3ccccc3n2)c4ccccc14
SMILES	OpenEye OEToolkits	1.7.0	CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3
Canonical SMILES	CACTVS	3.370	CN1C(=S)N(CCSc2[nH]c3ccccc3n2)c4ccccc14
Canonical SMILES	OpenEye OEToolkits	1.7.0	CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3
InChI	InChI	1.03	InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)
InChIKey	InChI	1.03	KDPSGIFCBZTBEZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	672548
ChEMBL	CHEMBL1738777

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