4-oxidanidyl-5-(phenylmethylsulfanyl)-1H-pyrazin-4-ium-2-one

Systemtic Name: 4-oxidanidyl-5-(phenylmethylsulfanyl)-1H-pyrazin-4-ium-2-one Openeye Name: 5-benzylsulfanyl-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 4-oxido-5-(phenylmethylthio)-1H-pyrazin-4-ium-2-one IUPAC Name: 5-benzylsulfanyl-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 5-(benzylthio)-4-oxido-1H-pyrazin-4-ium-2-one Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CNC(=O)C=[N+]2[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CNC(=O)C=[N+]2[O-]

InChI

InChI=1S/C11H10N2O2S/c14-10-7-13(15)11(6-12-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)