4-(2-methylquinazolin-4-yl)sulfanyl-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-(2-methylquinazolin-4-yl)sulfanyl-1-thiophen-2-yl-butan-1-one Openeye Name: 4-(2-methylquinazolin-4-yl)sulfanyl-1-(2-thienyl)butan-1-one CAS Name: 4-[(2-methyl-4-quinazolinyl)thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-(2-methylquinazolin-4-yl)sulfanyl-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[(2-methylquinazolin-4-yl)thio]-1-(2-thienyl)butan-1-one Formula: C17H16N2OS2 MolecularWeight: 328.45174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H16N2OS2/c1-12-18-14-7-3-2-6-13(14)17(19-12)22-11-4-8-15(20)16-9-5-10-21-16/h2-3,5-7,9-10H,4,8,11H2,1H3