2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C14H17N5O2S MolecularWeight: 319.38208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=NC=NN2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=NC=NN2

InChI

InChI=1S/C14H17N5O2S/c1-9-3-5-11(6-4-9)17-12(20)7-22-10(2)13(21)18-14-15-8-16-19-14/h3-6,8,10H,7H2,1-2H3,(H,17,20)(H2,15,16,18,19,21)