1-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[1-(1,1-dioxo-3-thiolanyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[1-(1,1-diketothiolan-3-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(quinazolin-4-ylthio)ethanone Formula: C20H21N3O3S2 MolecularWeight: 415.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCS(=O)(=O)C2)C)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1C2CCS(=O)(=O)C2)C)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H21N3O3S2/c1-13-9-17(14(2)23(13)15-7-8-28(25,26)11-15)19(24)10-27-20-16-5-3-4-6-18(16)21-12-22-20/h3-6,9,12,15H,7-8,10-11H2,1-2H3