N-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)ethanethioamide

Systemtic Name: N-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)ethanethioamide Openeye Name: N-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)thioacetamide CAS Name: N-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)ethanethioamide IUPAC Name: N-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)ethanethioamide Traditional Name: N-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)thioacetamide Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NC(=S)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1NC(=S)C)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3OS/c1-8-11(13-9(2)17)12(16)15(14-8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,13,17)