2-[2-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[[4-[(2-methyl-1-benzimidazolyl)methyl]-1-piperidinyl]-oxomethyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidine-1-carbonyl]phenyl]thio]acetonitrile Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3CCN(CC3)C(=O)C4=CC=CC=C4SCC#N

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3CCN(CC3)C(=O)C4=CC=CC=C4SCC#N

InChI

InChI=1S/C23H24N4OS/c1-17-25-20-7-3-4-8-21(20)27(17)16-18-10-13-26(14-11-18)23(28)19-6-2-5-9-22(19)29-15-12-24/h2-9,18H,10-11,13-16H2,1H3