N'-[3-cyano-5-[(4-methylphenyl)sulfanylmethyl]-1-oxidanidyl-pyrazin-1-ium-2-yl]-N,N-dimethyl-methanimidamide

Systemtic Name: N'-[3-cyano-5-[(4-methylphenyl)sulfanylmethyl]-1-oxidanidyl-pyrazin-1-ium-2-yl]-N,N-dimethyl-methanimidamide Openeye Name: N'-[3-cyano-1-oxido-5-(p-tolylsulfanylmethyl)pyrazin-1-ium-2-yl]-N,N-dimethyl-formamidine CAS Name: N'-[3-cyano-5-[[(4-methylphenyl)thio]methyl]-1-oxido-2-pyrazin-1-iumyl]-N,N-dimethylmethanimidamide IUPAC Name: N'-[3-cyano-5-[(4-methylphenyl)sulfanylmethyl]-1-oxidopyrazin-1-ium-2-yl]-N,N-dimethylmethanimidamide Traditional Name: N'-[3-cyano-1-oxido-5-[(p-tolylthio)methyl]pyrazin-1-ium-2-yl]-N,N-dimethyl-formamidine Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C[N+](=C(C(=N2)C#N)N=CN(C)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C[N+](=C(C(=N2)C#N)N=CN(C)C)[O-]

InChI

InChI=1S/C16H17N5OS/c1-12-4-6-14(7-5-12)23-10-13-9-21(22)16(15(8-17)19-13)18-11-20(2)3/h4-7,9,11H,10H2,1-3H3