6,6-dimethyl-3-methylsulfanyl-1-[1-(triphenylmethyl)pyrazol-4-yl]-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-methylsulfanyl-1-[1-(triphenylmethyl)pyrazol-4-yl]-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-methylsulfanyl-1-(1-tritylpyrazol-4-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(methylthio)-1-[1-(triphenylmethyl)-4-pyrazolyl]-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-methylsulfanyl-1-(1-tritylpyrazol-4-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-(methylthio)-1-(1-tritylpyrazol-4-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C33H30N2OS2 MolecularWeight: 534.7341

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=CN(N=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=CN(N=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C33H30N2OS2/c1-32(2)19-27-29(28(36)20-32)31(37-3)38-30(27)23-21-34-35(22-23)33(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,21-22H,19-20H2,1-3H3