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

Systemtic Name: 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C27H22N4O2S MolecularWeight: 466.55418

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC#N)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2S/c28-13-15-34-27-29-24-16-21(25(32)30-14-12-20-8-4-5-9-22(20)18-30)10-11-23(24)26(33)31(27)17-19-6-2-1-3-7-19/h1-11,16H,12,14-15,17-18H2