1-(butylamino)-5-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 1-(butylamino)-5-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 1-(butylamino)-5-phenylsulfanyl-anthracene-9,10-dione CAS Name: 1-(butylamino)-5-(phenylthio)anthracene-9,10-dione IUPAC Name: 1-(butylamino)-5-phenylsulfanylanthracene-9,10-dione Traditional Name: 1-(butylamino)-5-(phenylthio)-9,10-anthraquinone Formula: C24H21NO2S MolecularWeight: 387.49404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCCCNC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H21NO2S/c1-2-3-15-25-19-13-7-11-17-21(19)23(26)18-12-8-14-20(22(18)24(17)27)28-16-9-5-4-6-10-16/h4-14,25H,2-3,15H2,1H3