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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-imine Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methyl]-6,7-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-imine CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinimine IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-imine Traditional Name: [3-(3-chloro-4-methoxy-benzyl)-6,7-dimethoxy-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-ylidene]amine Formula: C26H23ClF3N3O3S MolecularWeight: 549.99233

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=N)C3=CC(=C(C=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F)OC)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=N)C3=CC(=C(C=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F)OC)OC)Cl

InChI

InChI=1S/C26H23ClF3N3O3S/c1-34-21-8-7-15(10-19(21)27)13-33-24(31)18-11-22(35-2)23(36-3)12-20(18)32-25(33)37-14-16-5-4-6-17(9-16)26(28,29)30/h4-12,31H,13-14H2,1-3H3