2-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-one

Systemtic Name: 2-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-one Openeye Name: 2-(p-tolylmethyl)-1H-1,2,4-triazol-3-one CAS Name: 2-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-one IUPAC Name: 2-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-one Traditional Name: 2-(4-methylbenzyl)-1H-1,2,4-triazol-3-one Formula: C10H11N3O MolecularWeight: 189.21384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)N=CN2

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)N=CN2

InChI

InChI=1S/C10H11N3O/c1-8-2-4-9(5-3-8)6-13-10(14)11-7-12-13/h2-5,7H,6H2,1H3,(H,11,12,14)