ethyl 5-azanyl-3-methylsulfanyl-1-(phenylcarbamothioyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-methylsulfanyl-1-(phenylcarbamothioyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfanyl-1-(phenylcarbamothioyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-[anilino(sulfanylidene)methyl]-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-methylsulfanyl-1-(phenylcarbamothioyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-(phenylthiocarbamoyl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H16N4O2S2 MolecularWeight: 336.43244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C(=S)NC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C(=S)NC2=CC=CC=C2)N

InChI

InChI=1S/C14H16N4O2S2/c1-3-20-13(19)10-11(15)18(17-12(10)22-2)14(21)16-9-7-5-4-6-8-9/h4-8H,3,15H2,1-2H3,(H,16,21)