ethyl 3-[(4-chlorophenyl)carbamothioylamino]-5-methyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-chlorophenyl)carbamothioylamino]-5-methyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(4-chlorophenyl)carbamothioylamino]-5-methyl-1H-pyrazole-4-carboxylate CAS Name: 3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-chlorophenyl)carbamothioylamino]-5-methyl-1H-pyrazole-4-carboxylate Traditional Name: 3-[(4-chlorophenyl)thiocarbamoylamino]-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C14H15ClN4O2S MolecularWeight: 338.8125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4O2S/c1-3-21-13(20)11-8(2)18-19-12(11)17-14(22)16-10-6-4-9(15)5-7-10/h4-7H,3H2,1-2H3,(H3,16,17,18,19,22)