2,5-bis(phenylmethylsulfanyl)-2H-pyrazin-1-ium 1-oxide

Systemtic Name: 2,5-bis(phenylmethylsulfanyl)-2H-pyrazin-1-ium 1-oxide Openeye Name: 2,5-bis(benzylsulfanyl)-2H-pyrazin-1-ium 1-oxide CAS Name: 2,5-bis(phenylmethylthio)-2H-pyrazin-1-ium 1-oxide IUPAC Name: 2,5-bis(benzylsulfanyl)-2H-pyrazin-1-ium 1-oxide Traditional Name: 2,5-bis(benzylthio)-2H-pyrazin-1-ium 1-oxide Formula: C18H17N2OS2+ MolecularWeight: 341.47038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2C=NC(=C[N+]2=O)SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2C=NC(=C[N+]2=O)SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N2OS2/c21-20-12-17(22-13-15-7-3-1-4-8-15)19-11-18(20)23-14-16-9-5-2-6-10-16/h1-12,18H,13-14H2/q+1