methyl 5-[(4-ethylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-[(4-ethylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-[(4-ethylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[(4-ethylanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(4-ethylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(4-ethylphenyl)thiocarbamoylamino]-1H-pyrazole-4-carboxylic acid methyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=C(C=NN2)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=C(C=NN2)C(=O)OC

InChI

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