1-[4-tert-butyl-4-ethenoxy-1-phenoxy-3-(phenylmethyl)hex-5-en-3-yl]-1,2,4-triazole

Systemtic Name: 1-[4-tert-butyl-4-ethenoxy-1-phenoxy-3-(phenylmethyl)hex-5-en-3-yl]-1,2,4-triazole Openeye Name: 1-[1-benzyl-2-tert-butyl-1-(2-phenoxyethyl)-2-vinyloxy-but-3-enyl]-1,2,4-triazole CAS Name: 1-[4-tert-butyl-4-ethenoxy-1-phenoxy-3-(phenylmethyl)hex-5-en-3-yl]-1,2,4-triazole IUPAC Name: 1-(3-benzyl-4-tert-butyl-4-ethenoxy-1-phenoxyhex-5-en-3-yl)-1,2,4-triazole Traditional Name: 1-[1-benzyl-2-tert-butyl-1-(2-phenoxyethyl)-2-vinyloxy-but-3-enyl]-1,2,4-triazole Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C=C)(C(CCOC1=CC=CC=C1)(CC2=CC=CC=C2)N3C=NC=N3)OC=C

Isomeric SMILES

CC(C)(C)C(C=C)(C(CCOC1=CC=CC=C1)(CC2=CC=CC=C2)N3C=NC=N3)OC=C

InChI

InChI=1S/C27H33N3O2/c1-6-27(32-7-2,25(3,4)5)26(30-22-28-21-29-30,20-23-14-10-8-11-15-23)18-19-31-24-16-12-9-13-17-24/h6-17,21-22H,1-2,18-20H2,3-5H3