2-[[2-oxidanylidene-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[2-oxidanylidene-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[2-oxo-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetonitrile CAS Name: 2-[[2-oxo-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetonitrile IUPAC Name: 2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetonitrile Traditional Name: 2-[[2-keto-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetonitrile Formula: C16H16N4OS MolecularWeight: 312.38944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CN=CC=C3)SCC#N

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CN=CC=C3)SCC#N

InChI

InChI=1S/C16H16N4OS/c17-7-9-22-15-13-5-1-2-6-14(13)20(16(21)19-15)11-12-4-3-8-18-10-12/h3-4,8,10H,1-2,5-6,9,11H2