N-(2,5-dimethoxyphenyl)-4-methyl-pyrazole-1-carbothioamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-methyl-pyrazole-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-methyl-pyrazole-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-methyl-1-pyrazolecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-methylpyrazole-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-methyl-pyrazole-1-carbothioamide Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)C(=S)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC1=CN(N=C1)C(=S)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C13H15N3O2S/c1-9-7-14-16(8-9)13(19)15-11-6-10(17-2)4-5-12(11)18-3/h4-8H,1-3H3,(H,15,19)