N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-cyano-4,5-bis(p-tolyl)-2-furyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[3-cyano-4,5-bis(4-methylphenyl)-2-furanyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[3-cyano-4,5-bis(p-tolyl)-2-furyl]-2-(quinazolin-4-ylthio)acetamide Formula: C29H22N4O2S MolecularWeight: 490.57558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CSC3=NC=NC4=CC=CC=C43)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CSC3=NC=NC4=CC=CC=C43)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H22N4O2S/c1-18-7-11-20(12-8-18)26-23(15-30)28(35-27(26)21-13-9-19(2)10-14-21)33-25(34)16-36-29-22-5-3-4-6-24(22)31-17-32-29/h3-14,17H,16H2,1-2H3,(H,33,34)