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

Systemtic Name: phenyl N-[(1H-1,2,4-triazol-4-ium-4-ylamino)methyl]sulfamate Openeye Name: phenyl N-[(1H-1,2,4-triazol-4-ium-4-ylamino)methyl]sulfamate CAS Name: N-[(1H-1,2,4-triazol-4-ium-4-ylamino)methyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[(1H-1,2,4-triazol-4-ium-4-ylamino)methyl]sulfamate Traditional Name: N-[(1H-1,2,4-triazol-4-ium-4-ylamino)methyl]sulfamic acid phenyl ester Formula: C9H12N5O3S+ MolecularWeight: 270.28828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)NCN[N+]2=CNN=C2

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)NCN[N+]2=CNN=C2

InChI

InChI=1S/C9H11N5O3S/c15-18(16,17-9-4-2-1-3-5-9)13-6-12-14-7-10-11-8-14/h1-5,7-8,12-13H,6H2/p+1