1-(1-ethanoylpyrazol-3-yl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 1-(1-ethanoylpyrazol-3-yl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-(1-acetylpyrazol-3-yl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 1-(1-acetyl-3-pyrazolyl)-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-(1-acetylpyrazol-3-yl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-(1-acetylpyrazol-3-yl)-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C16H18N2O2S2 MolecularWeight: 334.45632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC(=N1)C2=C3CC(CC(=O)C3=C(S2)SC)(C)C

Isomeric SMILES

CC(=O)N1C=CC(=N1)C2=C3CC(CC(=O)C3=C(S2)SC)(C)C

InChI

InChI=1S/C16H18N2O2S2/c1-9(19)18-6-5-11(17-18)14-10-7-16(2,3)8-12(20)13(10)15(21-4)22-14/h5-6H,7-8H2,1-4H3