4-(3-methylphenyl)-2-phenyl-1H-1,2,4-triazol-4-ium-5-one

Systemtic Name: 4-(3-methylphenyl)-2-phenyl-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 4-(m-tolyl)-2-phenyl-1H-1,2,4-triazol-4-ium-5-one CAS Name: 4-(3-methylphenyl)-2-phenyl-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 4-(3-methylphenyl)-2-phenyl-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 4-(m-tolyl)-2-phenyl-1H-1,2,4-triazol-4-ium-5-one Formula: C15H14N3O+ MolecularWeight: 252.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2=CN(NC2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2=CN(NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C15H13N3O/c1-12-6-5-9-14(10-12)17-11-18(16-15(17)19)13-7-3-2-4-8-13/h2-11H,1H3/p+1