[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Openeye Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(o-tolyl)methanone CAS Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone IUPAC Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Traditional Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(o-tolyl)methanone Formula: C24H29N3O2 MolecularWeight: 391.50596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C24H29N3O2/c1-6-7-16-29-23-25-21(18-12-14-19(15-13-18)24(3,4)5)27(26-23)22(28)20-11-9-8-10-17(20)2/h8-15H,6-7,16H2,1-5H3