2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C17H13ClF3N3O3S MolecularWeight: 431.81663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=C(C=C(C=N3)C(F)(F)F)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=C(C=C(C=N3)C(F)(F)F)Cl)OC

InChI

InChI=1S/C17H13ClF3N3O3S/c1-26-12-4-9-11(5-13(12)27-2)23-14(24-15(9)25)7-28-16-10(18)3-8(6-22-16)17(19,20)21/h3-6H,7H2,1-2H3,(H,23,24,25)