6,6-dimethyl-3-(phenylmethylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-(phenylmethylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-benzylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(phenylmethylthio)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-benzylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(benzylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C20H20N2OS2 MolecularWeight: 368.5156

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCC3=CC=CC=C3)C4=CC=NN4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCC3=CC=CC=C3)C4=CC=NN4)C

InChI

InChI=1S/C20H20N2OS2/c1-20(2)10-14-17(16(23)11-20)19(24-12-13-6-4-3-5-7-13)25-18(14)15-8-9-21-22-15/h3-9H,10-12H2,1-2H3,(H,21,22)