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

Systemtic Name: N-(4-chlorophenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide CAS Name: N-(4-chlorophenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[(5-keto-3-pyrazolin-3-yl)methylthio]acetamide Formula: C12H12ClN3O2S MolecularWeight: 297.76058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSCC2=CC(=O)NN2)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSCC2=CC(=O)NN2)Cl

InChI

InChI=1S/C12H12ClN3O2S/c13-8-1-3-9(4-2-8)14-12(18)7-19-6-10-5-11(17)16-15-10/h1-5H,6-7H2,(H,14,18)(H2,15,16,17)