2,7-bis[bis(4-phenylsulfanylphenyl)amino]-10-methyl-acridin-9-one

Systemtic Name: 2,7-bis[bis(4-phenylsulfanylphenyl)amino]-10-methyl-acridin-9-one Openeye Name: 10-methyl-2,7-bis(4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)anilino)acridin-9-one CAS Name: 10-methyl-2,7-bis[4-(phenylthio)-N-[4-(phenylthio)phenyl]anilino]-9-acridinone IUPAC Name: 10-methyl-2,7-bis(4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)anilino)acridin-9-one Traditional Name: 10-methyl-2,7-bis[4-(phenylthio)-N-[4-(phenylthio)phenyl]anilino]acridin-9-one Formula: C62H45N3OS4 MolecularWeight: 976.3002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C3=CC=C(C=C3)SC4=CC=CC=C4)C5=CC=C(C=C5)SC6=CC=CC=C6)C(=O)C7=C1C=CC(=C7)N(C8=CC=C(C=C8)SC9=CC=CC=C9)C1=CC=C(C=C1)SC1=CC=CC=C1

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C3=CC=C(C=C3)SC4=CC=CC=C4)C5=CC=C(C=C5)SC6=CC=CC=C6)C(=O)C7=C1C=CC(=C7)N(C8=CC=C(C=C8)SC9=CC=CC=C9)C1=CC=C(C=C1)SC1=CC=CC=C1

InChI

InChI=1S/C62H45N3OS4/c1-63-60-40-30-48(64(44-22-32-54(33-23-44)67-50-14-6-2-7-15-50)45-24-34-55(35-25-45)68-51-16-8-3-9-17-51)42-58(60)62(66)59-43-49(31-41-61(59)63)65(46-26-36-56(37-27-46)69-52-18-10-4-11-19-52)47-28-38-57(39-29-47)70-53-20-12-5-13-21-53/h2-43H,1H3