methyl (1Z)-3-azanylidene-2-cyano-N-(3-methylbenzimidazol-3-ium-1-yl)prop-2-enimidothioate

Systemtic Name: methyl (1Z)-3-azanylidene-2-cyano-N-(3-methylbenzimidazol-3-ium-1-yl)prop-2-enimidothioate Openeye Name: methyl (1Z)-2-cyano-3-imino-N-(3-methylbenzimidazol-3-ium-1-yl)prop-2-enimidothioate CAS Name: (1Z)-2-cyano-3-imino-N-(3-methyl-1-benzimidazol-3-iumyl)-2-propenimidothioic acid methyl ester IUPAC Name: methyl (1Z)-2-cyano-3-imino-N-(3-methylbenzimidazol-3-ium-1-yl)prop-2-enimidothioate Traditional Name: (1Z)-2-cyano-3-imino-N-(3-methylbenzimidazol-3-ium-1-yl)thioacrylimidic acid methyl ester Formula: C13H12N5S+ MolecularWeight: 270.33288

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)N=C(C(=C=N)C#N)SC

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)/N=C(/C(=C=N)C#N)\SC

InChI

InChI=1S/C13H12N5S/c1-17-9-18(12-6-4-3-5-11(12)17)16-13(19-2)10(7-14)8-15/h3-6,9,14H,1-2H3/q+1/b16-13-