phenyl N-[[(4-cyanophenyl)-(1H-1,2,4-triazol-4-ium-4-yl)amino]methyl]sulfamate

Systemtic Name: phenyl N-[[(4-cyanophenyl)-(1H-1,2,4-triazol-4-ium-4-yl)amino]methyl]sulfamate Openeye Name: phenyl N-[[4-cyano-N-(1H-1,2,4-triazol-4-ium-4-yl)anilino]methyl]sulfamate CAS Name: N-[[4-cyano-N-(1H-1,2,4-triazol-4-ium-4-yl)anilino]methyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[[4-cyano-N-(1H-1,2,4-triazol-4-ium-4-yl)anilino]methyl]sulfamate Traditional Name: N-[[4-cyano-N-(1H-1,2,4-triazol-4-ium-4-yl)anilino]methyl]sulfamic acid phenyl ester Formula: C16H15N6O3S+ MolecularWeight: 371.3937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)NCN(C2=CC=C(C=C2)C#N)[N+]3=CNN=C3

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)NCN(C2=CC=C(C=C2)C#N)[N+]3=CNN=C3

InChI

InChI=1S/C16H14N6O3S/c17-10-14-6-8-15(9-7-14)22(21-11-18-19-12-21)13-20-26(23,24)25-16-4-2-1-3-5-16/h1-9,11-12,20H,13H2/p+1