N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-methylpyrazole-3-carboxamide Traditional Name: N-(homoveratrylthiocarbamoyl)-2-methyl-pyrazole-3-carboxamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H20N4O3S/c1-20-12(7-9-18-20)15(21)19-16(24)17-8-6-11-4-5-13(22-2)14(10-11)23-3/h4-5,7,9-10H,6,8H2,1-3H3,(H2,17,19,21,24)