1-[(4-methyl-3-nitro-phenyl)amino]-4-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 1-[(4-methyl-3-nitro-phenyl)amino]-4-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 1-(4-methyl-3-nitro-anilino)-4-phenylsulfanyl-anthracene-9,10-dione CAS Name: 1-(4-methyl-3-nitroanilino)-4-(phenylthio)anthracene-9,10-dione IUPAC Name: 1-(4-methyl-3-nitroanilino)-4-phenylsulfanylanthracene-9,10-dione Traditional Name: 1-(4-methyl-3-nitro-anilino)-4-(phenylthio)-9,10-anthraquinone Formula: C27H18N2O4S MolecularWeight: 466.50782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C3C(=C(C=C2)SC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C3C(=C(C=C2)SC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)[N+](=O)[O-]

InChI

InChI=1S/C27H18N2O4S/c1-16-11-12-17(15-22(16)29(32)33)28-21-13-14-23(34-18-7-3-2-4-8-18)25-24(21)26(30)19-9-5-6-10-20(19)27(25)31/h2-15,28H,1H3