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

Systemtic Name: ethyl 5-[(4-methoxyphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-methoxyphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methoxyphenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(4-methoxyphenyl)thiocarbamoylamino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S/c1-3-21-13(19)11-8-15-18-12(11)17-14(22)16-9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H3,15,16,17,18,22)