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

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)methyl]-5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)methyl]-5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-one CAS Name: 2-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(5-chloro-2-methoxy-benzyl)-5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-one Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O2/c1-11-4-5-13(8-12(11)2)17-20-18(23)22(21-17)10-14-9-15(19)6-7-16(14)24-3/h4-9H,10H2,1-3H3,(H,20,21,23)