2-[3-[2-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[2-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[2-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]ethyl]-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[2-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]ethyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[2-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-[2-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]ethyl]-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C22H16N6O2S2 MolecularWeight: 460.53144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CCN3C(=O)C4=CC=CC=C4N=C3SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CCN3C(=O)C4=CC=CC=C4N=C3SCC#N

InChI

InChI=1S/C22H16N6O2S2/c23-9-13-31-21-25-17-7-3-1-5-15(17)19(29)27(21)11-12-28-20(30)16-6-2-4-8-18(16)26-22(28)32-14-10-24/h1-8H,11-14H2