ethyl 4-(1H-pyrazol-5-ylmethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(1H-pyrazol-5-ylmethylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1H-pyrazol-5-ylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(1H-pyrazol-5-ylmethylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1H-pyrazol-5-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(1H-pyrazol-5-ylmethylthiocarbamoylamino)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)NCC2=CC=NN2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=NN2

InChI

InChI=1S/C14H16N4O2S/c1-2-20-13(19)10-3-5-11(6-4-10)17-14(21)15-9-12-7-8-16-18-12/h3-8H,2,9H2,1H3,(H,16,18)(H2,15,17,21)