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

Systemtic Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide Openeye Name: 4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide CAS Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-propylbutanamide IUPAC Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylbutanamide Traditional Name: 4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-propyl-butyramide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-3-15-23-20(27)10-7-16-28-22-25-24-21(18-8-5-4-6-9-18)26(22)19-13-11-17(2)12-14-19/h4-6,8-9,11-14H,3,7,10,15-16H2,1-2H3,(H,23,27)