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

Systemtic Name: methyl 5-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-[(5-chloro-2-methyl-phenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(5-chloro-2-methylphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]-1H-pyrazole-4-carboxylic acid methyl ester Formula: C13H13ClN4O2S MolecularWeight: 324.78592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O2S/c1-7-3-4-8(14)5-10(7)16-13(21)17-11-9(6-15-18-11)12(19)20-2/h3-6H,1-2H3,(H3,15,16,17,18,21)