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

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]methyl]-1H-quinazolin-4-one Formula: C15H9ClF3N3OS MolecularWeight: 371.76467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9ClF3N3OS/c16-10-5-8(15(17,18)19)6-20-14(10)24-7-12-21-11-4-2-1-3-9(11)13(23)22-12/h1-6H,7H2,(H,21,22,23)