2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(4-ethylphenyl)quinazolin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(4-ethylphenyl)quinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(4-ethylphenyl)quinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-(4-ethylphenyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(4-ethylphenyl)quinazolin-4-one Traditional Name: 3-(4-ethylphenyl)-2-(piperonylthio)quinazolin-4-one Formula: C24H20N2O3S MolecularWeight: 416.4922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H20N2O3S/c1-2-16-7-10-18(11-8-16)26-23(27)19-5-3-4-6-20(19)25-24(26)30-14-17-9-12-21-22(13-17)29-15-28-21/h3-13H,2,14-15H2,1H3