2-[2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]quinazolin-3-yl]acetonitrile Formula: C16H12N4O2S MolecularWeight: 324.35708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=CC=CC=[N+]3[O-])CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=CC=CC=[N+]3[O-])CC#N

InChI

InChI=1S/C16H12N4O2S/c17-8-10-19-14(11-23-15-7-3-4-9-20(15)22)18-13-6-2-1-5-12(13)16(19)21/h1-7,9H,10-11H2