methyl 4-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-chloro-2-methyl-pyrazole-3-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-chloro-2-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-2-methylpyrazole-3-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-chloro-2-methyl-pyrazole-3-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C14H13ClN4O3S MolecularWeight: 352.79602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H13ClN4O3S/c1-19-11(10(15)7-16-19)12(20)18-14(23)17-9-5-3-8(4-6-9)13(21)22-2/h3-7H,1-2H3,(H2,17,18,20,23)