[4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl] thiocyanate

Systemtic Name: [4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl] thiocyanate Openeye Name: [4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]phenyl] ester IUPAC Name: [4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]phenyl] ester Formula: C18H13F3N4O2S MolecularWeight: 406.38163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC=C(C=C3)SC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3=CC=C(C=C3)SC#N)OC

InChI

InChI=1S/C18H13F3N4O2S/c1-26-14-7-12-13(8-15(14)27-2)24-17(18(19,20)21)25-16(12)23-10-3-5-11(6-4-10)28-9-22/h3-8H,1-2H3,(H,23,24,25)