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

Systemtic Name: 4-[[4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide Openeye Name: 4-[[5-benzyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide CAS Name: 4-[[4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-propylbutanamide IUPAC Name: 4-[[5-benzyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylbutanamide Traditional Name: 4-[[5-benzyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-propyl-butyramide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)C)CC3=CC=CC=C3

InChI

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