5-nitro-4-phenylsulfanyl-1-(propan-2-ylamino)anthracene-9,10-dione

Systemtic Name: 5-nitro-4-phenylsulfanyl-1-(propan-2-ylamino)anthracene-9,10-dione Openeye Name: 1-(isopropylamino)-5-nitro-4-phenylsulfanyl-anthracene-9,10-dione CAS Name: 5-nitro-4-(phenylthio)-1-(propan-2-ylamino)anthracene-9,10-dione IUPAC Name: 5-nitro-4-phenylsulfanyl-1-(propan-2-ylamino)anthracene-9,10-dione Traditional Name: 1-(isopropylamino)-5-nitro-4-(phenylthio)-9,10-anthraquinone Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2C(=C(C=C1)SC3=CC=CC=C3)C(=O)C4=C(C2=O)C=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C2C(=C(C=C1)SC3=CC=CC=C3)C(=O)C4=C(C2=O)C=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O4S/c1-13(2)24-16-11-12-18(30-14-7-4-3-5-8-14)21-20(16)22(26)15-9-6-10-17(25(28)29)19(15)23(21)27/h3-13,24H,1-2H3