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

Systemtic Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(quinazolin-4-ylthio)ethanone Formula: C23H21N3O2S MolecularWeight: 403.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O2S/c1-15-12-20(16(2)26(15)17-8-10-18(28-3)11-9-17)22(27)13-29-23-19-6-4-5-7-21(19)24-14-25-23/h4-12,14H,13H2,1-3H3