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

Systemtic Name: 8-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]-1H-quinazolin-4-one Formula: C16H12F3N3OS MolecularWeight: 351.34619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N3OS/c1-9-3-2-4-11-14(9)21-12(22-15(11)23)8-24-13-6-5-10(7-20-13)16(17,18)19/h2-7H,8H2,1H3,(H,21,22,23)