ethyl 4-[(4-methylpyrazol-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-methylpyrazol-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(4-methylpyrazole-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylpyrazole-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-methylpyrazole-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2C=C(C=N2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2C=C(C=N2)C

InChI

InChI=1S/C14H15N3O2S/c1-3-19-13(18)11-4-6-12(7-5-11)16-14(20)17-9-10(2)8-15-17/h4-9H,3H2,1-2H3,(H,16,20)