2-[2-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[[4-[(5,6-dimethyl-1-benzimidazolyl)methyl]-1-piperidinyl]-oxomethyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidine-1-carbonyl]phenyl]thio]acetonitrile Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC3CCN(CC3)C(=O)C4=CC=CC=C4SCC#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)CC3CCN(CC3)C(=O)C4=CC=CC=C4SCC#N

InChI

InChI=1S/C24H26N4OS/c1-17-13-21-22(14-18(17)2)28(16-26-21)15-19-7-10-27(11-8-19)24(29)20-5-3-4-6-23(20)30-12-9-25/h3-6,13-14,16,19H,7-8,10-12,15H2,1-2H3