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

Systemtic Name: N-butyl-4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-butyl-4-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-butyl-4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-butyl-4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-butyl-4-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butyramide Formula: C23H28N4OS MolecularWeight: 408.55962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-3-4-15-24-21(28)14-9-16-29-23-26-25-22(19-11-6-5-7-12-19)27(23)20-13-8-10-18(2)17-20/h5-8,10-13,17H,3-4,9,14-16H2,1-2H3,(H,24,28)