N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-oxidanylidene-1,4-dihydropyrazole-4-carboxamide

Systemtic Name: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-oxidanylidene-1,4-dihydropyrazole-4-carboxamide Openeye Name: N-[(E)-(4-methylsulfanylphenyl)methyleneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide CAS Name: N-[(E)-[4-(methylthio)phenyl]methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide IUPAC Name: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide Traditional Name: 3-keto-N-[(E)-[4-(methylthio)benzylidene]amino]-2-pyrazoline-4-carboxamide Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=NNC(=O)C2C=NNC2=O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=N/NC(=O)C2C=NNC2=O

InChI

InChI=1S/C12H12N4O2S/c1-19-9-4-2-8(3-5-9)6-13-15-11(17)10-7-14-16-12(10)18/h2-7,10H,1H3,(H,15,17)(H,16,18)/b13-6+