7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one Formula: C25H18F3N3O2S MolecularWeight: 481.48953

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C25H18F3N3O2S/c26-25(27,28)18-6-3-7-19(13-18)31-23(33)20-9-8-16(12-21(20)29-24(31)34)22(32)30-11-10-15-4-1-2-5-17(15)14-30/h1-9,12-13H,10-11,14H2,(H,29,34)