N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(5-keto-3-pyrazolin-3-yl)methylthio]acetamide Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O2S/c1-8-3-9(2)14(11(15)4-8)16-13(20)7-21-6-10-5-12(19)18-17-10/h3-5H,6-7H2,1-2H3,(H,16,20)(H2,17,18,19)