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

Systemtic Name: methyl 5-(phenylcarbamothioylamino)-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-(phenylcarbamothioylamino)-1H-pyrazole-4-carboxylate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(phenylcarbamothioylamino)-1H-pyrazole-4-carboxylate Traditional Name: 5-(phenylthiocarbamoylamino)-1H-pyrazole-4-carboxylic acid methyl ester Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NN=C1)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(NN=C1)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C12H12N4O2S/c1-18-11(17)9-7-13-16-10(9)15-12(19)14-8-5-3-2-4-6-8/h2-7H,1H3,(H3,13,14,15,16,19)