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

Systemtic Name: N-(2-cyanoethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5OS/c1-3-12-5-7-13(8-6-12)15-18-16(20-19-15)23-11-14(22)21(2)10-4-9-17/h5-8H,3-4,10-11H2,1-2H3,(H,18,19,20)