1-azanyl-2-(3-bromanyl-4-methyl-phenyl)sulfanyl-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-(3-bromanyl-4-methyl-phenyl)sulfanyl-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-amino-2-(3-bromo-4-methyl-phenyl)sulfanyl-4-hydroxy-anthracene-9,10-dione CAS Name: 1-amino-2-[(3-bromo-4-methylphenyl)thio]-4-hydroxyanthracene-9,10-dione IUPAC Name: 1-amino-2-(3-bromo-4-methylphenyl)sulfanyl-4-hydroxyanthracene-9,10-dione Traditional Name: 1-amino-2-[(3-bromo-4-methyl-phenyl)thio]-4-hydroxy-9,10-anthraquinone Formula: C21H14BrNO3S MolecularWeight: 440.30976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N)Br

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N)Br

InChI

InChI=1S/C21H14BrNO3S/c1-10-6-7-11(8-14(10)22)27-16-9-15(24)17-18(19(16)23)21(26)13-5-3-2-4-12(13)20(17)25/h2-9,24H,23H2,1H3