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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=S)NC2=CC=CC=C2

InChI

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