2-[1-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1H-quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC=C(C=C3)C(F)(F)F

InChI

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