1,8-bis[(2-azanyl-4-methyl-phenyl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,8-bis[(2-azanyl-4-methyl-phenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-methyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[(2-amino-4-methylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[(2-amino-4-methylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-methyl-phenyl)thio]-9,10-anthraquinone Formula: C28H22N2O2S2 MolecularWeight: 482.61648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)C)N)N

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)C)N)N

InChI

InChI=1S/C28H22N2O2S2/c1-15-9-11-21(19(29)13-15)33-23-7-3-5-17-25(23)28(32)26-18(27(17)31)6-4-8-24(26)34-22-12-10-16(2)14-20(22)30/h3-14H,29-30H2,1-2H3