6-azanyl-3-(4-oxidanyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 6-azanyl-3-(4-oxidanyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-(4-hydroxy-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-(4-hydroxy-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-(4-hydroxy-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-(4-hydroxy-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Formula: C16H10F3N4O2S+ MolecularWeight: 379.33641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=N2)[N+]3=C(N=C4C=CC(=CC4C3=O)N)C(F)(F)F)O

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=N2)[N+]3=C(N=C4C=CC(=CC4C3=O)N)C(F)(F)F)O

InChI

InChI=1S/C16H9F3N4O2S/c17-16(18,19)14-21-9-5-4-7(20)6-8(9)13(25)23(14)15-22-12-10(24)2-1-3-11(12)26-15/h1-6,8H,20H2/p+1