4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridyl]-sulfanyl-methyl]benzonitrile CAS Name: 4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-mercaptomethyl]benzonitrile IUPAC Name: 4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]-sulfanylmethyl]benzonitrile Traditional Name: 4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridyl]-mercapto-methyl]benzonitrile Formula: C22H18N4S MolecularWeight: 370.47012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3=CN=C(C=C3)C(C4=CC=C(C=C4)C#N)S

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3=CN=C(C=C3)C(C4=CC=C(C=C4)C#N)S

InChI

InChI=1S/C22H18N4S/c1-13-9-19-20(10-14(13)2)26-22(25-19)17-7-8-18(24-12-17)21(27)16-5-3-15(11-23)4-6-16/h3-10,12,21,27H,1-2H3,(H,25,26)