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

Systemtic Name: 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3-phenyl-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-phenyl-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-3-phenyl-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-phenylquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-3-phenyl-quinazolin-2-yl]thio]acetonitrile Formula: C26H20N4O2S MolecularWeight: 452.5276

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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

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

InChI

InChI=1S/C26H20N4O2S/c27-13-15-33-26-28-23-16-19(24(31)29-14-12-18-6-4-5-7-20(18)17-29)10-11-22(23)25(32)30(26)21-8-2-1-3-9-21/h1-11,16H,12,14-15,17H2