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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-benzyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4OS/c1-13-8-10-16(11-9-13)17-21-19(23-22-17)25-14(2)18(24)20-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,20,24)(H,21,22,23)