methyl 4-[(3-methylpyrazol-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 4-[(3-methylpyrazol-1-yl)carbothioylamino]benzoate Openeye Name: methyl 4-[(3-methylpyrazole-1-carbothioyl)amino]benzoate CAS Name: 4-[[(3-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methylpyrazole-1-carbothioyl)amino]benzoate Traditional Name: 4-[(3-methylpyrazole-1-carbothioyl)amino]benzoic acid methyl ester Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=NN(C=C1)C(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H13N3O2S/c1-9-7-8-16(15-9)13(19)14-11-5-3-10(4-6-11)12(17)18-2/h3-8H,1-2H3,(H,14,19)