2-[(2,5-dimethylphenyl)methyl]-3-phenylsulfanyl-1-(phenylsulfonyl)indole

Systemtic Name: 2-[(2,5-dimethylphenyl)methyl]-3-phenylsulfanyl-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-2-[(2,5-dimethylphenyl)methyl]-3-phenylsulfanyl-indole CAS Name: 1-(benzenesulfonyl)-2-[(2,5-dimethylphenyl)methyl]-3-(phenylthio)indole IUPAC Name: 1-(benzenesulfonyl)-2-[(2,5-dimethylphenyl)methyl]-3-phenylsulfanylindole Traditional Name: 1-besyl-2-(2,5-dimethylbenzyl)-3-(phenylthio)indole Formula: C29H25NO2S2 MolecularWeight: 483.6443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C29H25NO2S2/c1-21-17-18-22(2)23(19-21)20-28-29(33-24-11-5-3-6-12-24)26-15-9-10-16-27(26)30(28)34(31,32)25-13-7-4-8-14-25/h3-19H,20H2,1-2H3