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

Systemtic Name: 3-chloranyl-2-(4-methylphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-chloro-2-(p-tolyl)-1H-1,2,4-triazol-5-one CAS Name: 3-chloro-2-(4-methylphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-chloro-2-(4-methylphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-chloro-2-(p-tolyl)-1H-1,2,4-triazol-5-one Formula: C9H8ClN3O MolecularWeight: 209.63232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=O)N2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=O)N2)Cl

InChI

InChI=1S/C9H8ClN3O/c1-6-2-4-7(5-3-6)13-8(10)11-9(14)12-13/h2-5H,1H3,(H,12,14)