2-(4-oxidanylidene-2-propylsulfanyl-quinazolin-3-yl)ethanenitrile

Systemtic Name: 2-(4-oxidanylidene-2-propylsulfanyl-quinazolin-3-yl)ethanenitrile Openeye Name: 2-(4-oxo-2-propylsulfanyl-quinazolin-3-yl)acetonitrile CAS Name: 2-[4-oxo-2-(propylthio)-3-quinazolinyl]acetonitrile IUPAC Name: 2-(4-oxo-2-propylsulfanylquinazolin-3-yl)acetonitrile Traditional Name: 2-[4-keto-2-(propylthio)quinazolin-3-yl]acetonitrile Formula: C13H13N3OS MolecularWeight: 259.32682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC=CC=C2C(=O)N1CC#N

Isomeric SMILES

CCCSC1=NC2=CC=CC=C2C(=O)N1CC#N

InChI

InChI=1S/C13H13N3OS/c1-2-9-18-13-15-11-6-4-3-5-10(11)12(17)16(13)8-7-14/h3-6H,2,8-9H2,1H3