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

Systemtic Name: ethyl 3-azanyl-2-(2-hydroxyphenyl)carbonyl-5-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-2-(2-hydroxybenzoyl)-5-thioxo-1H-pyrazole-4-carboxylate CAS Name: 3-amino-2-[(2-hydroxyphenyl)-oxomethyl]-5-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-(2-hydroxybenzoyl)-5-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 5-amino-1-salicyloyl-3-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=S)C(=O)C2=CC=CC=C2O)N

Isomeric SMILES

CCOC(=O)C1=C(N(NC1=S)C(=O)C2=CC=CC=C2O)N

InChI

InChI=1S/C13H13N3O4S/c1-2-20-13(19)9-10(14)16(15-11(9)21)12(18)7-5-3-4-6-8(7)17/h3-6,17H,2,14H2,1H3,(H,15,21)