N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[1-(m-tolyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[1-(3-methylphenyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[1-(m-tolyl)benzimidazol-2-yl]thio]acetamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC(C)(C#N)C4CC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC(=O)N[C@](C)(C#N)C4CC4

InChI

InChI=1S/C22H22N4OS/c1-15-6-5-7-17(12-15)26-19-9-4-3-8-18(19)24-21(26)28-13-20(27)25-22(2,14-23)16-10-11-16/h3-9,12,16H,10-11,13H2,1-2H3,(H,25,27)/t22-/m1/s1