N-(4-methylphenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide Openeye Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide Traditional Name: 2-[(5-keto-3-pyrazolin-3-yl)methylthio]-N-(p-tolyl)acetamide Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)NN2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)NN2

InChI

InChI=1S/C13H15N3O2S/c1-9-2-4-10(5-3-9)14-13(18)8-19-7-11-6-12(17)16-15-11/h2-6H,7-8H2,1H3,(H,14,18)(H2,15,16,17)