[4-[8-(2-methylphenyl)carbonyldibenzothiophen-2-yl]-2,3-bis(phenylmethylsulfanyl)phenyl]-phenyl-methanone

Systemtic Name: [4-[8-(2-methylphenyl)carbonyldibenzothiophen-2-yl]-2,3-bis(phenylmethylsulfanyl)phenyl]-phenyl-methanone Openeye Name: [2,3-bis(benzylsulfanyl)-4-[8-(2-methylbenzoyl)dibenzothiophen-2-yl]phenyl]-phenyl-methanone CAS Name: [4-[8-[(2-methylphenyl)-oxomethyl]-2-dibenzothiophenyl]-2,3-bis(phenylmethylthio)phenyl]-phenylmethanone IUPAC Name: [2,3-bis(benzylsulfanyl)-4-[8-(2-methylbenzoyl)dibenzothiophen-2-yl]phenyl]-phenylmethanone Traditional Name: [2,3-bis(benzylthio)-4-(8-o-toluoyldibenzothiophen-2-yl)phenyl]-phenyl-methanone Formula: C47H34O2S3 MolecularWeight: 726.96666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=C(C(=C(C=C5)C(=O)C6=CC=CC=C6)SCC7=CC=CC=C7)SCC8=CC=CC=C8

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=C(C(=C(C=C5)C(=O)C6=CC=CC=C6)SCC7=CC=CC=C7)SCC8=CC=CC=C8

InChI

InChI=1S/C47H34O2S3/c1-31-13-11-12-20-37(31)45(49)36-22-26-43-41(28-36)40-27-35(21-25-42(40)52-43)38-23-24-39(44(48)34-18-9-4-10-19-34)47(51-30-33-16-7-3-8-17-33)46(38)50-29-32-14-5-2-6-15-32/h2-28H,29-30H2,1H3