4-oxidanidyl-3-phenyl-1-(phenylmethyl)-1,2,4-triazol-4-ium

Systemtic Name: 4-oxidanidyl-3-phenyl-1-(phenylmethyl)-1,2,4-triazol-4-ium Openeye Name: 1-benzyl-4-oxido-3-phenyl-1,2,4-triazol-4-ium CAS Name: 4-oxido-3-phenyl-1-(phenylmethyl)-1,2,4-triazol-4-ium IUPAC Name: 1-benzyl-4-oxido-3-phenyl-1,2,4-triazol-4-ium Traditional Name: 1-benzyl-4-oxido-3-phenyl-1,2,4-triazol-4-ium Formula: C15H13N3O MolecularWeight: 251.28322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=[N+](C(=N2)C3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=[N+](C(=N2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C15H13N3O/c19-18-12-17(11-13-7-3-1-4-8-13)16-15(18)14-9-5-2-6-10-14/h1-10,12H,11H2