ethyl 5-methyl-3-(phenylcarbamothioylamino)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-3-(phenylcarbamothioylamino)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-3-(phenylcarbamothioylamino)-1H-pyrazole-4-carboxylate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-(phenylcarbamothioylamino)-1H-pyrazole-4-carboxylate Traditional Name: 5-methyl-3-(phenylthiocarbamoylamino)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1NC(=S)NC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1NC(=S)NC2=CC=CC=C2)C

InChI

InChI=1S/C14H16N4O2S/c1-3-20-13(19)11-9(2)17-18-12(11)16-14(21)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H3,15,16,17,18,21)