2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C28H24N4O2S MolecularWeight: 480.58076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC#N)C

InChI

InChI=1S/C28H24N4O2S/c1-18-13-19(2)15-23(14-18)32-27(34)24-8-7-21(16-25(24)30-28(32)35-12-10-29)26(33)31-11-9-20-5-3-4-6-22(20)17-31/h3-8,13-16H,9,11-12,17H2,1-2H3