1-azanyl-2-[(4-butylphenyl)methylsulfanyl]-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-[(4-butylphenyl)methylsulfanyl]-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-amino-2-[(4-butylphenyl)methylsulfanyl]-4-hydroxy-anthracene-9,10-dione CAS Name: 1-amino-2-[(4-butylphenyl)methylthio]-4-hydroxyanthracene-9,10-dione IUPAC Name: 1-amino-2-[(4-butylphenyl)methylsulfanyl]-4-hydroxyanthracene-9,10-dione Traditional Name: 1-amino-2-[(4-butylbenzyl)thio]-4-hydroxy-9,10-anthraquinone Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CSC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)CSC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C25H23NO3S/c1-2-3-6-15-9-11-16(12-10-15)14-30-20-13-19(27)21-22(23(20)26)25(29)18-8-5-4-7-17(18)24(21)28/h4-5,7-13,27H,2-3,6,14,26H2,1H3