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

Systemtic Name: ethyl 3-azanyl-2-(4-nitrophenyl)-5-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-2-(4-nitrophenyl)-5-thioxo-1H-pyrazole-4-carboxylate CAS Name: 3-amino-2-(4-nitrophenyl)-5-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-(4-nitrophenyl)-5-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 5-amino-1-(4-nitrophenyl)-3-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=S)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(NC1=S)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C12H12N4O4S/c1-2-20-12(17)9-10(13)15(14-11(9)21)7-3-5-8(6-4-7)16(18)19/h3-6H,2,13H2,1H3,(H,14,21)