N-butyl-3-[4-(3-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: N-butyl-3-[4-(3-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: N-butyl-3-[4-(m-tolyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide CAS Name: N-butyl-3-[4-(3-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: N-butyl-3-[4-(3-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: N-butyl-3-[5-[(3-methylbenzyl)thio]-4-(m-tolyl)-1,2,4-triazol-3-yl]propionamide Formula: C24H30N4OS MolecularWeight: 422.5862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC1=NN=C(N1C2=CC=CC(=C2)C)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCCCNC(=O)CCC1=NN=C(N1C2=CC=CC(=C2)C)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C24H30N4OS/c1-4-5-14-25-23(29)13-12-22-26-27-24(28(22)21-11-7-9-19(3)16-21)30-17-20-10-6-8-18(2)15-20/h6-11,15-16H,4-5,12-14,17H2,1-3H3,(H,25,29)