3-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-chloro-3-methyl-phenoxy)methyl]-4-(p-tolyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-chloro-3-methylphenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-chloro-3-methylphenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-chloro-3-methyl-phenoxy)methyl]-4-(p-tolyl)-1H-1,2,4-triazol-5-one Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=O)COC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=O)COC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C17H16ClN3O2/c1-11-3-5-13(6-4-11)21-16(19-20-17(21)22)10-23-14-7-8-15(18)12(2)9-14/h3-9H,10H2,1-2H3,(H,20,22)