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

Systemtic Name: 6-azanyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Formula: C17H12F3N4O2S+ MolecularWeight: 393.36299

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)[N+]3=C(N=C4C=CC(=CC4C3=O)N)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)[N+]3=C(N=C4C=CC(=CC4C3=O)N)C(F)(F)F

InChI

InChI=1S/C17H12F3N4O2S/c1-26-9-3-5-12-13(7-9)27-16(23-12)24-14(25)10-6-8(21)2-4-11(10)22-15(24)17(18,19)20/h2-7,10H,21H2,1H3/q+1