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

Systemtic Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-butylphenyl)methanone Openeye Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-butylphenyl)methanone CAS Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-butylphenyl)methanone IUPAC Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-butylphenyl)methanone Traditional Name: [3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-(4-butylphenyl)methanone Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCCC)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCCC)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H35N3O2/c1-6-8-10-20-11-13-22(14-12-20)25(31)30-24(28-26(29-30)32-19-9-7-2)21-15-17-23(18-16-21)27(3,4)5/h11-18H,6-10,19H2,1-5H3