ethyl 5-oxidanylidene-3-(phenylcarbamothioylamino)-1H-pyrazole-2-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-3-(phenylcarbamothioylamino)-1H-pyrazole-2-carboxylate Openeye Name: ethyl 5-oxo-3-(phenylcarbamothioylamino)-1H-pyrazole-2-carboxylate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-5-oxo-1H-pyrazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-3-(phenylcarbamothioylamino)-1H-pyrazole-2-carboxylate Traditional Name: 3-keto-5-(phenylthiocarbamoylamino)-3-pyrazoline-1-carboxylic acid ethyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=CC(=O)N1)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1C(=CC(=O)N1)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C13H14N4O3S/c1-2-20-13(19)17-10(8-11(18)16-17)15-12(21)14-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,18)(H2,14,15,21)