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

Systemtic Name: ethyl 4-[(5-methyl-1H-pyrazol-3-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-methyl-1H-pyrazol-3-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(5-methyl-1H-pyrazol-3-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-methyl-1H-pyrazol-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(5-methyl-1H-pyrazol-3-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NNC(=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NNC(=C2)C

InChI

InChI=1S/C14H16N4O2S/c1-3-20-13(19)10-4-6-11(7-5-10)15-14(21)16-12-8-9(2)17-18-12/h4-8H,3H2,1-2H3,(H3,15,16,17,18,21)