ethyl 5-[(phenylmethyl)carbamothioylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(phenylmethyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(benzylcarbamothioylamino)-1H-pyrazole-4-carboxylate CAS Name: 5-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylcarbamothioylamino)-1H-pyrazole-4-carboxylate Traditional Name: 5-(benzylthiocarbamoylamino)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NC(=S)NCC2=CC=CC=C2

InChI

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