methyl 5-[(2-methylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-[(2-methylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-(o-tolylcarbamothioylamino)-1H-pyrazole-4-carboxylate CAS Name: 5-[[(2-methylanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2-methylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-(o-tolylthiocarbamoylamino)-1H-pyrazole-4-carboxylic acid methyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=C(C=NN2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=C(C=NN2)C(=O)OC

InChI

InChI=1S/C13H14N4O2S/c1-8-5-3-4-6-10(8)15-13(20)16-11-9(7-14-17-11)12(18)19-2/h3-7H,1-2H3,(H3,14,15,16,17,20)