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

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O2S/c18-14-10-5-1-2-6-11(10)15-12(16-14)9-20-13-7-3-4-8-17(13)19/h1-8H,9H2,(H,15,16,18)