3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-N-(phenylmethyl)propanamide

Systemtic Name: 3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-phenyl-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-phenyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanamide Traditional Name: N-benzyl-3-phenyl-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4OS/c1-18-12-14-21(15-13-18)24-27-25(29-28-24)31-22(20-10-6-3-7-11-20)16-23(30)26-17-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,26,30)(H,27,28,29)