ethyl 3-azanyl-2-(phenylcarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-2-(phenylcarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-2-benzoyl-5-thioxo-1H-pyrazole-4-carboxylate CAS Name: 3-amino-2-benzoyl-5-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-benzoyl-5-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 5-amino-1-benzoyl-3-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=S)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(NC1=S)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C13H13N3O3S/c1-2-19-13(18)9-10(14)16(15-11(9)20)12(17)8-6-4-3-5-7-8/h3-7H,2,14H2,1H3,(H,15,20)