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

Systemtic Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-ethylphenyl)methanone Openeye Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-ethylphenyl)methanone CAS Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-ethylphenyl)methanone IUPAC Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-ethylphenyl)methanone Traditional Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-ethylphenyl)methanone Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2/c1-6-8-17-30-24-26-22(19-13-15-21(16-14-19)25(3,4)5)28(27-24)23(29)20-11-9-18(7-2)10-12-20/h9-16H,6-8,17H2,1-5H3