2,6-dimethyl-5-[2-(trifluoromethyl)pyridin-4-yl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2,6-dimethyl-5-[2-(trifluoromethyl)pyridin-4-yl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2,6-dimethyl-5-[[2-(trifluoromethyl)-4-pyridyl]sulfanyl]-1H-quinazolin-4-one CAS Name: 2,6-dimethyl-5-[[2-(trifluoromethyl)-4-pyridinyl]thio]-1H-quinazolin-4-one IUPAC Name: 2,6-dimethyl-5-[2-(trifluoromethyl)pyridin-4-yl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2,6-dimethyl-5-[[2-(trifluoromethyl)-4-pyridyl]thio]-1H-quinazolin-4-one Formula: C16H12F3N3OS MolecularWeight: 351.34619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=NC2=O)C)SC3=CC(=NC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=NC2=O)C)SC3=CC(=NC=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N3OS/c1-8-3-4-11-13(15(23)22-9(2)21-11)14(8)24-10-5-6-20-12(7-10)16(17,18)19/h3-7H,1-2H3,(H,21,22,23)