ethyl 3-[(4-methoxyphenyl)carbamothioylamino]-5-methyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-methoxyphenyl)carbamothioylamino]-5-methyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(4-methoxyphenyl)carbamothioylamino]-5-methyl-1H-pyrazole-4-carboxylate CAS Name: 3-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-methoxyphenyl)carbamothioylamino]-5-methyl-1H-pyrazole-4-carboxylate Traditional Name: 3-[(4-methoxyphenyl)thiocarbamoylamino]-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1NC(=S)NC2=CC=C(C=C2)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1NC(=S)NC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C15H18N4O3S/c1-4-22-14(20)12-9(2)18-19-13(12)17-15(23)16-10-5-7-11(21-3)8-6-10/h5-8H,4H2,1-3H3,(H3,16,17,18,19,23)