N-(1-cyano-1-cyclopropyl-ethyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C16H18N4OS/c1-16(10-17,11-7-8-11)19-14(21)9-22-15-18-12-5-3-4-6-13(12)20(15)2/h3-6,11H,7-9H2,1-2H3,(H,19,21)