7,8-bis(4-chlorophenyl)-5-methyl-2-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

Systemtic Name: 7,8-bis(4-chlorophenyl)-5-methyl-2-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Openeye Name: 7,8-bis(4-chlorophenyl)-5-methyl-2-[[6-(trifluoromethyl)-3-pyridyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one CAS Name: 7,8-bis(4-chlorophenyl)-5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one IUPAC Name: 7,8-bis(4-chlorophenyl)-5-methyl-2-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Traditional Name: 7,8-bis(4-chlorophenyl)-5-methyl-2-[[6-(trifluoromethyl)-3-pyridyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Formula: C25H16Cl2F3N5O MolecularWeight: 530.32865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C2=NN(C(=O)N12)CC3=CN=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NC(=C(C2=NN(C(=O)N12)CC3=CN=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H16Cl2F3N5O/c1-14-32-22(17-5-9-19(27)10-6-17)21(16-3-7-18(26)8-4-16)23-33-34(24(36)35(14)23)13-15-2-11-20(31-12-15)25(28,29)30/h2-12H,13H2,1H3