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

Systemtic Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Openeye Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone CAS Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone IUPAC Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Traditional Name: [5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O2/c1-6-8-9-10-11-21-12-14-23(15-13-21)26(32)31-25(29-27(30-31)33-20-7-2)22-16-18-24(19-17-22)28(3,4)5/h12-19H,6-11,20H2,1-5H3