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

Systemtic Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Openeye Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(o-tolyl)methanone CAS Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone IUPAC Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Traditional Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(o-tolyl)methanone Formula: C23H27N3O2 MolecularWeight: 377.47938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C23H27N3O2/c1-6-15-28-22-24-20(17-11-13-18(14-12-17)23(3,4)5)26(25-22)21(27)19-10-8-7-9-16(19)2/h7-14H,6,15H2,1-5H3