1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-(quinazolin-4-ylthio)ethanone Formula: C24H21N3O3S MolecularWeight: 431.50684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC=NC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C24H21N3O3S/c1-15-9-19(16(2)27(15)11-17-7-8-22-23(10-17)30-14-29-22)21(28)12-31-24-18-5-3-4-6-20(18)25-13-26-24/h3-10,13H,11-12,14H2,1-2H3