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

Systemtic Name: N-(2-cyanoethyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C26H23N5OS MolecularWeight: 453.55872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H23N5OS/c1-20-10-8-11-21(18-20)25-28-29-26(31(25)23-14-6-3-7-15-23)33-19-24(32)30(17-9-16-27)22-12-4-2-5-13-22/h2-8,10-15,18H,9,17,19H2,1H3