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

Systemtic Name: ethyl 5-methyl-3-(phenylcarbonylcarbamothioylamino)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-(benzoylcarbamothioylamino)-5-methyl-1H-pyrazole-4-carboxylate CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzoylcarbamothioylamino)-5-methyl-1H-pyrazole-4-carboxylate Traditional Name: 3-(benzoylthiocarbamoylamino)-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O3S/c1-3-22-14(21)11-9(2)18-19-12(11)16-15(23)17-13(20)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H3,16,17,18,19,20,23)