methyl 4-[2-(4-fluorophenyl)-4-sulfanylidene-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-1-yl]benzoate

Systemtic Name: methyl 4-[2-(4-fluorophenyl)-4-sulfanylidene-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-1-yl]benzoate Openeye Name: methyl 4-[2-(4-fluorophenyl)-4-thioxo-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-1-yl]benzoate CAS Name: 4-[2-(4-fluorophenyl)-4-sulfanylidene-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-fluorophenyl)-4-sulfanylidene-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-1-yl]benzoate Traditional Name: 4-[2-(4-fluorophenyl)-4-thioxo-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-1-yl]benzoic acid methyl ester Formula: C22H20FN2O2S+ MolecularWeight: 395.469803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)[N+]2=C3CCCCC3C(=S)N=C2C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[N+]2=C3CCCCC3C(=S)N=C2C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN2O2S/c1-27-22(26)15-8-12-17(13-9-15)25-19-5-3-2-4-18(19)21(28)24-20(25)14-6-10-16(23)11-7-14/h6-13,18H,2-5H2,1H3/q+1