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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCCC)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCCC)C3=CC=C(C=C3)CC

InChI

InChI=1S/C27H35N3O2/c1-4-7-9-10-11-22-14-18-24(19-15-22)26(31)30-25(23-16-12-21(6-3)13-17-23)28-27(29-30)32-20-8-5-2/h12-19H,4-11,20H2,1-3H3