methyl 5-[(2,6-dimethylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-[(2,6-dimethylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-[(2,6-dimethylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2,6-dimethylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(2,6-dimethylphenyl)thiocarbamoylamino]-1H-pyrazole-4-carboxylic acid methyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC2=C(C=NN2)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC2=C(C=NN2)C(=O)OC

InChI

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