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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=[N+](C(=O)C2C=C1N)C3=NC4=C(S3)C=C(C=C4)O)C(F)(F)F

Isomeric SMILES

C1=CC2=NC(=[N+](C(=O)C2C=C1N)C3=NC4=C(S3)C=C(C=C4)O)C(F)(F)F

InChI

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