3-[2-chloranyl-5-(trifluoromethyl)phenyl]-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C25H17ClF3N3O2S MolecularWeight: 515.93459

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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=C(C=CC(=C5)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H17ClF3N3O2S/c26-19-8-6-17(25(27,28)29)12-21(19)32-23(34)18-7-5-15(11-20(18)30-24(32)35)22(33)31-10-9-14-3-1-2-4-16(14)13-31/h1-8,11-12H,9-10,13H2,(H,30,35)