8-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 8-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H13N3O2S/c1-10-5-4-6-11-14(10)16-12(17-15(11)19)9-21-13-7-2-3-8-18(13)20/h2-8H,9H2,1H3,(H,16,17,19)