N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-phenyl-acetamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS/c1-16-22-23-20(25(16)18-11-6-3-7-12-18)27-15-19(26)24(14-8-13-21)17-9-4-2-5-10-17/h2,4-5,9-10,18H,3,6-8,11-12,14-15H2,1H3