2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-[(5-chloro-2-hydroxy-phenyl)methyl]-5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-one CAS Name: 2-[(5-chloro-2-hydroxyphenyl)methyl]-5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-[(5-chloro-2-hydroxyphenyl)methyl]-5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(5-chloro-2-hydroxy-benzyl)-5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-one Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=O)N(N2)CC3=C(C=CC(=C3)Cl)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=O)N(N2)CC3=C(C=CC(=C3)Cl)O)C

InChI

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