[7-methoxy-3-(4-methoxyphenyl)-4-sulfanylidene-quinazolin-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [7-methoxy-3-(4-methoxyphenyl)-4-sulfanylidene-quinazolin-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [7-methoxy-3-(4-methoxyphenyl)-4-thioxo-quinazolin-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [7-methoxy-3-(4-methoxyphenyl)-4-sulfanylidene-5-quinazolinyl] ester IUPAC Name: [7-methoxy-3-(4-methoxyphenyl)-4-sulfanylidenequinazolin-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [7-methoxy-3-(4-methoxyphenyl)-4-thioxo-quinazolin-5-yl] ester Formula: C17H13F3N2O5S2 MolecularWeight: 446.42073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC3=CC(=CC(=C3C2=S)OS(=O)(=O)C(F)(F)F)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC3=CC(=CC(=C3C2=S)OS(=O)(=O)C(F)(F)F)OC

InChI

InChI=1S/C17H13F3N2O5S2/c1-25-11-5-3-10(4-6-11)22-9-21-13-7-12(26-2)8-14(15(13)16(22)28)27-29(23,24)17(18,19)20/h3-9H,1-2H3