3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-oxidanyl-4-oxidanylidene-1-phenyl-3H-quinolin-1-ium-3-yl)pentane-1,4-dione

Systemtic Name: 3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-oxidanyl-4-oxidanylidene-1-phenyl-3H-quinolin-1-ium-3-yl)pentane-1,4-dione Openeye Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-hydroxy-4-oxo-1-phenyl-3H-quinolin-1-ium-3-yl)pentane-1,4-dione CAS Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(2-hydroxy-4-oxo-1-phenyl-3H-quinolin-1-ium-3-yl)pentane-1,4-dione IUPAC Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-hydroxy-4-oxo-1-phenyl-3H-quinolin-1-ium-3-yl)pentane-1,4-dione Traditional Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(2-hydroxy-4-keto-1-phenyl-3H-quinolin-1-ium-3-yl)pentane-1,4-dione Formula: C22H19N4O4S2+ MolecularWeight: 467.54066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(=O)C1C(=O)C2=CC=CC=C2[N+](=C1O)C3=CC=CC=C3)SC4=NN=C(S4)N

Isomeric SMILES

CC(=O)C(CC(=O)C1C(=O)C2=CC=CC=C2[N+](=C1O)C3=CC=CC=C3)SC4=NN=C(S4)N

InChI

InChI=1S/C22H18N4O4S2/c1-12(27)17(31-22-25-24-21(23)32-22)11-16(28)18-19(29)14-9-5-6-10-15(14)26(20(18)30)13-7-3-2-4-8-13/h2-10,17-18H,11H2,1H3,(H2,23,24)/p+1