methyl 4-[(5-methyl-1H-pyrazol-3-yl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(5-methyl-1H-pyrazol-3-yl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(5-methyl-1H-pyrazol-3-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(5-methyl-1H-pyrazol-3-yl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-methyl-1H-pyrazol-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(5-methyl-1H-pyrazol-3-yl)thiocarbamoylamino]benzoic acid methyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=NN1)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

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