4-phenyl-6-(trifluoromethylsulfanyl)-1H-quinazolin-2-one

Systemtic Name: 4-phenyl-6-(trifluoromethylsulfanyl)-1H-quinazolin-2-one Openeye Name: 4-phenyl-6-(trifluoromethylsulfanyl)-1H-quinazolin-2-one CAS Name: 4-phenyl-6-(trifluoromethylthio)-1H-quinazolin-2-one IUPAC Name: 4-phenyl-6-(trifluoromethylsulfanyl)-1H-quinazolin-2-one Traditional Name: 4-phenyl-6-(trifluoromethylthio)-1H-quinazolin-2-one Formula: C15H9F3N2OS MolecularWeight: 322.30497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C15H9F3N2OS/c16-15(17,18)22-10-6-7-12-11(8-10)13(20-14(21)19-12)9-4-2-1-3-5-9/h1-8H,(H,19,20,21)