2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(3-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C26H19FN4O2S MolecularWeight: 470.518063

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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(=N4)SCC#N)C5=CC(=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C26H19FN4O2S/c27-20-6-3-7-21(15-20)31-25(33)22-9-8-18(14-23(22)29-26(31)34-13-11-28)24(32)30-12-10-17-4-1-2-5-19(17)16-30/h1-9,14-15H,10,12-13,16H2