2-(4-methylphenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 2-(p-tolylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 2-[(4-methylphenyl)thio]-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 2-(p-tolylthio)-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4OS/c1-8-3-5-10(6-4-8)18-9(2)11(17)15-12-13-7-14-16-12/h3-7,9H,1-2H3,(H2,13,14,15,16,17)