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

Systemtic Name: N-(4-methylphenyl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: 5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)pentanamide CAS Name: N-(4-methylphenyl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-(4-methylphenyl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: 5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)valeramide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C27H28N4OS/c1-20-11-15-22(16-12-20)26-29-30-27(31(26)24-8-4-3-5-9-24)33-19-7-6-10-25(32)28-23-17-13-21(2)14-18-23/h3-5,8-9,11-18H,6-7,10,19H2,1-2H3,(H,28,32)