N-[2-(cyanomethylsulfanyl)phenyl]-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H22N4O2S2 MolecularWeight: 486.60848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C26H22N4O2S2/c1-2-18-11-13-19(14-12-18)30-25(32)20-7-3-4-8-21(20)29-26(30)34-17-24(31)28-22-9-5-6-10-23(22)33-16-15-27/h3-14H,2,16-17H2,1H3,(H,28,31)