2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one

Systemtic Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one Openeye Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one CAS Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one IUPAC Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one Traditional Name: 2-(4-chlorobenzyl)-5-methyl-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O2/c1-16-24-25(15-17-7-9-18(23)10-8-17)22(27)26(16)19-11-13-21(14-12-19)28-20-5-3-2-4-6-20/h2-14H,15H2,1H3