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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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