1-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol

Systemtic Name: 1-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol Openeye Name: 1-(4-allyl-2-methoxy-phenoxy)-3-[5-(4-bromophenyl)tetrazol-2-yl]propan-2-ol CAS Name: 1-[5-(4-bromophenyl)-2-tetrazolyl]-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol IUPAC Name: 1-[5-(4-bromophenyl)tetrazol-2-yl]-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol Traditional Name: 1-(4-allyl-2-methoxy-phenoxy)-3-[5-(4-bromophenyl)tetrazol-2-yl]propan-2-ol Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(CN2N=C(N=N2)C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC(CN2N=C(N=N2)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H21BrN4O3/c1-3-4-14-5-10-18(19(11-14)27-2)28-13-17(26)12-25-23-20(22-24-25)15-6-8-16(21)9-7-15/h3,5-11,17,26H,1,4,12-13H2,2H3