4-[(4-tert-butylphenyl)methyl]-2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-one

Systemtic Name: 4-[(4-tert-butylphenyl)methyl]-2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-one Openeye Name: 4-[(4-tert-butylphenyl)methyl]-2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-one CAS Name: 4-[(4-tert-butylphenyl)methyl]-2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-one IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-one Traditional Name: 4-(4-tert-butylbenzyl)-2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-one Formula: C20H21Cl2N3O MolecularWeight: 390.30624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1CC2=CC=C(C=C2)C(C)(C)C)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=NN(C(=O)N1CC2=CC=C(C=C2)C(C)(C)C)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O/c1-13-23-25(18-10-9-16(21)11-17(18)22)19(26)24(13)12-14-5-7-15(8-6-14)20(2,3)4/h5-11H,12H2,1-4H3