4-[2-[(1-cyclopropyl-2-sulfanylidene-imidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile

Systemtic Name: 4-[2-[(1-cyclopropyl-2-sulfanylidene-imidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile Openeye Name: 4-[2-[(1-cyclopropyl-2-thioxo-imidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile CAS Name: 4-[2-[(1-cyclopropyl-2-sulfanylidene-3-imidazo[4,5-c]pyridinyl)methyl]-1-benzimidazolyl]butanenitrile IUPAC Name: 4-[2-[(1-cyclopropyl-2-sulfanylideneimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile Traditional Name: 4-[2-[(1-cyclopropyl-2-thioxo-imidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butyronitrile Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=NC=C3)N(C2=S)CC4=NC5=CC=CC=C5N4CCCC#N

Isomeric SMILES

C1CC1N2C3=C(C=NC=C3)N(C2=S)CC4=NC5=CC=CC=C5N4CCCC#N

InChI

InChI=1S/C21H20N6S/c22-10-3-4-12-25-17-6-2-1-5-16(17)24-20(25)14-26-19-13-23-11-9-18(19)27(21(26)28)15-7-8-15/h1-2,5-6,9,11,13,15H,3-4,7-8,12,14H2