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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS/c1-24(14-8-13-21)18(26)15-27-20-22-19(16-9-4-2-5-10-16)25(23-20)17-11-6-3-7-12-17/h3,6-7,11-12,16H,2,4-5,8-10,14-15H2,1H3