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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide CAS Name: N-(4-chloro-2-methylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]acetamide IUPAC Name: N-(4-chloro-2-methylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-2-[(5-keto-3-pyrazolin-3-yl)methylthio]acetamide Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O2S/c1-8-4-9(14)2-3-11(8)15-13(19)7-20-6-10-5-12(18)17-16-10/h2-5H,6-7H2,1H3,(H,15,19)(H2,16,17,18)