1-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methanethioamide

Systemtic Name: 1-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methanethioamide Openeye Name: 1-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thioformamide CAS Name: 1-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methanethioamide IUPAC Name: 1-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methanethioamide Traditional Name: 1-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thioformamide Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)C#N

InChI

InChI=1S/C13H12N4OS/c1-9-12(15-11(19)8-14)13(18)17(16(9)2)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,19)