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

Systemtic Name: 2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-N-phenyl-acetamide CAS Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]-N-phenylacetamide IUPAC Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-N-phenylacetamide Traditional Name: 2-[(5-keto-3-pyrazolin-3-yl)methylthio]-N-phenyl-acetamide Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S/c16-11-6-10(14-15-11)7-18-8-12(17)13-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,13,17)(H2,14,15,16)