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

Systemtic Name: 2-dodecylsulfanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine Openeye Name: 2-dodecylsulfanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine CAS Name: 2-(dodecylthio)-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-4-quinazolinimine IUPAC Name: 2-dodecylsulfanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine Traditional Name: [2-(laurylthio)-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]quinazolin-4-ylidene]amine Formula: C30H40F3N3O2S MolecularWeight: 563.71771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=CC(=C(C=C2C(=N)N1CC3=CC(=CC=C3)C(F)(F)F)OC)OC

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=CC(=C(C=C2C(=N)N1CC3=CC(=CC=C3)C(F)(F)F)OC)OC

InChI

InChI=1S/C30H40F3N3O2S/c1-4-5-6-7-8-9-10-11-12-13-17-39-29-35-25-20-27(38-3)26(37-2)19-24(25)28(34)36(29)21-22-15-14-16-23(18-22)30(31,32)33/h14-16,18-20,34H,4-13,17,21H2,1-3H3