3-(4-methoxyphenyl)-1-methyl-pyrazole-4-carbothioamide

Systemtic Name: 3-(4-methoxyphenyl)-1-methyl-pyrazole-4-carbothioamide Openeye Name: 3-(4-methoxyphenyl)-1-methyl-pyrazole-4-carbothioamide CAS Name: 3-(4-methoxyphenyl)-1-methyl-4-pyrazolecarbothioamide IUPAC Name: 3-(4-methoxyphenyl)-1-methylpyrazole-4-carbothioamide Traditional Name: 3-(4-methoxyphenyl)-1-methyl-pyrazole-4-carbothioamide Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC)C(=S)N

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC)C(=S)N

InChI

InChI=1S/C12H13N3OS/c1-15-7-10(12(13)17)11(14-15)8-3-5-9(16-2)6-4-8/h3-7H,1-2H3,(H2,13,17)