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

Systemtic Name: ethyl 3-azanyl-2-(4-chlorophenyl)carbonyl-5-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-2-(4-chlorobenzoyl)-5-thioxo-1H-pyrazole-4-carboxylate CAS Name: 3-amino-2-[(4-chlorophenyl)-oxomethyl]-5-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-(4-chlorobenzoyl)-5-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 5-amino-1-(4-chlorobenzoyl)-3-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O3S/c1-2-20-13(19)9-10(15)17(16-11(9)21)12(18)7-3-5-8(14)6-4-7/h3-6H,2,15H2,1H3,(H,16,21)