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

Systemtic Name: 2-[3-[3-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[3-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]propyl]-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[3-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]propyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[3-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]propyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-[3-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]propyl]-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C23H18N6O2S2 MolecularWeight: 474.55802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CCCN3C(=O)C4=CC=CC=C4N=C3SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CCCN3C(=O)C4=CC=CC=C4N=C3SCC#N

InChI

InChI=1S/C23H18N6O2S2/c24-10-14-32-22-26-18-8-3-1-6-16(18)20(30)28(22)12-5-13-29-21(31)17-7-2-4-9-19(17)27-23(29)33-15-11-25/h1-4,6-9H,5,12-15H2