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

Systemtic Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-pentanamide Openeye Name: N-isopropyl-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-propan-2-ylpentanamide IUPAC Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpentanamide Traditional Name: N-isopropyl-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]valeramide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-17(2)24-21(28)11-7-8-16-29-23-26-25-22(19-9-5-4-6-10-19)27(23)20-14-12-18(3)13-15-20/h4-6,9-10,12-15,17H,7-8,11,16H2,1-3H3,(H,24,28)