1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(2-methyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(2-methylquinazolin-4-yl)thio]ethanone Formula: C23H21N3OS MolecularWeight: 387.49734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3OS/c1-15-13-20(16(2)26(15)18-9-5-4-6-10-18)22(27)14-28-23-19-11-7-8-12-21(19)24-17(3)25-23/h4-13H,14H2,1-3H3