2-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[(1-oxido-2-pyridin-1-iumyl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(1-oxidopyridin-1-ium-2-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C15H13N3O2S MolecularWeight: 299.34762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H13N3O2S/c1-10(21-13-8-4-5-9-18(13)20)14-16-12-7-3-2-6-11(12)15(19)17-14/h2-10H,1H3,(H,16,17,19)