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

Systemtic Name: N-(2-cyanoethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS/c1-2-16-9-11-17(12-10-16)20-23-21(25-24-20)28-15-19(27)26(14-6-13-22)18-7-4-3-5-8-18/h3-5,7-12H,2,6,14-15H2,1H3,(H,23,24,25)