ethyl (4E)-5-oxidanylidene-1-phenyl-4-[(pyridin-3-ylcarbothioylamino)methylidene]pyrazole-3-carboxylate

Systemtic Name: ethyl (4E)-5-oxidanylidene-1-phenyl-4-[(pyridin-3-ylcarbothioylamino)methylidene]pyrazole-3-carboxylate Openeye Name: ethyl (4E)-5-oxo-1-phenyl-4-[(pyridine-3-carbothioylamino)methylene]pyrazole-3-carboxylate CAS Name: (4E)-5-oxo-1-phenyl-4-[[[3-pyridinyl(sulfanylidene)methyl]amino]methylidene]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-5-oxo-1-phenyl-4-[(pyridine-3-carbothioylamino)methylidene]pyrazole-3-carboxylate Traditional Name: (4E)-5-keto-1-phenyl-4-[(pyridine-3-carbothioylamino)methylene]-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CNC(=S)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C\1=NN(C(=O)/C1=C/NC(=S)C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O3S/c1-2-26-19(25)16-15(12-21-17(27)13-7-6-10-20-11-13)18(24)23(22-16)14-8-4-3-5-9-14/h3-12H,2H2,1H3,(H,21,27)/b15-12+