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

Systemtic Name: 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-3-phenethyl-quinazolin-2-yl]thio]acetonitrile Formula: C28H24N4O2S MolecularWeight: 480.58076

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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)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC#N)CCC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O2S/c29-14-17-35-28-30-25-18-22(26(33)31-15-13-21-8-4-5-9-23(21)19-31)10-11-24(25)27(34)32(28)16-12-20-6-2-1-3-7-20/h1-11,18H,12-13,15-17,19H2