6,7-dimethoxy-3-phenethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-imine

Systemtic Name: 6,7-dimethoxy-3-phenethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-imine Openeye Name: 6,7-dimethoxy-3-phenethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-imine CAS Name: 6,7-dimethoxy-3-phenethyl-2-[[4-(trifluoromethyl)phenyl]methylthio]-4-quinazolinimine IUPAC Name: 6,7-dimethoxy-3-phenethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-imine Traditional Name: [6,7-dimethoxy-3-phenethyl-2-[[4-(trifluoromethyl)benzyl]thio]quinazolin-4-ylidene]amine Formula: C26H24F3N3O2S MolecularWeight: 499.54787

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=C(C=C3)C(F)(F)F)CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=C(C=C3)C(F)(F)F)CCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H24F3N3O2S/c1-33-22-14-20-21(15-23(22)34-2)31-25(32(24(20)30)13-12-17-6-4-3-5-7-17)35-16-18-8-10-19(11-9-18)26(27,28)29/h3-11,14-15,30H,12-13,16H2,1-2H3