N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-methylphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-methylphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-9,10-dioxo-1-(p-tolylsulfanyl)anthracene-2-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[(4-methylphenyl)thio]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)sulfanyl-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-9,10-diketo-1-(p-tolylthio)anthracene-2-carboxamide Formula: C28H17ClFNO3S MolecularWeight: 501.955883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C28H17ClFNO3S/c1-15-6-9-17(10-7-15)35-27-21(28(34)31-16-8-13-23(30)22(29)14-16)12-11-20-24(27)26(33)19-5-3-2-4-18(19)25(20)32/h2-14H,1H3,(H,31,34)