N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-pyrazole-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-pyrazole-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-pyrazole-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1-pyrazolecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylpyrazole-1-carbothioamide Traditional Name: N-homoveratryl-4-methyl-pyrazole-1-carbothioamide Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CN(N=C1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H19N3O2S/c1-11-9-17-18(10-11)15(21)16-7-6-12-4-5-13(19-2)14(8-12)20-3/h4-5,8-10H,6-7H2,1-3H3,(H,16,21)