2-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[[4-(p-tolyl)thiazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[4-(4-methylphenyl)-2-thiazolyl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[[4-(p-tolyl)thiazol-2-yl]thio]methyl]quinazolin-3-yl]acetonitrile Formula: C21H16N4OS2 MolecularWeight: 404.50794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C21H16N4OS2/c1-14-6-8-15(9-7-14)18-12-27-21(24-18)28-13-19-23-17-5-3-2-4-16(17)20(26)25(19)11-10-22/h2-9,12H,11,13H2,1H3