1-azanyl-4-(1,3-benzothiazol-2-ylsulfanyl)-2-bromanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-(1,3-benzothiazol-2-ylsulfanyl)-2-bromanyl-anthracene-9,10-dione Openeye Name: 1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)-2-bromo-anthracene-9,10-dione CAS Name: 1-amino-4-(1,3-benzothiazol-2-ylthio)-2-bromoanthracene-9,10-dione IUPAC Name: 1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)-2-bromoanthracene-9,10-dione Traditional Name: 1-amino-4-(1,3-benzothiazol-2-ylthio)-2-bromo-9,10-anthraquinone Formula: C21H11BrN2O2S2 MolecularWeight: 467.35824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=NC5=CC=CC=C5S4)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=NC5=CC=CC=C5S4)Br)N

InChI

InChI=1S/C21H11BrN2O2S2/c22-12-9-15(28-21-24-13-7-3-4-8-14(13)27-21)16-17(18(12)23)20(26)11-6-2-1-5-10(11)19(16)25/h1-9H,23H2