3-azanyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-azanyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-amino-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-amino-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C16H12F3N3OS MolecularWeight: 351.34619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)N

InChI

InChI=1S/C16H12F3N3OS/c17-16(18,19)11-5-3-4-10(8-11)9-24-15-21-13-7-2-1-6-12(13)14(23)22(15)20/h1-8H,9,20H2