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

Systemtic Name: N-(4-methylphenyl)-2-[[5-(phenylazanylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: 2-[[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: 2-[[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: 2-[[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)CNC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)CNC3=CC=CC=C3

InChI

InChI=1S/C19H21N5OS/c1-13-8-10-16(11-9-13)21-18(25)14(2)26-19-22-17(23-24-19)12-20-15-6-4-3-5-7-15/h3-11,14,20H,12H2,1-2H3,(H,21,25)(H,22,23,24)