1-[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-phenyltetrazol-5-one Traditional Name: 1-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-phenyl-tetrazol-5-one Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2C(=O)N(N=N2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@@H](CN2C(=O)N(N=N2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H24N4O3/c1-20(2,3)15-9-11-18(12-10-15)27-14-17(25)13-23-19(26)24(22-21-23)16-7-5-4-6-8-16/h4-12,17,25H,13-14H2,1-3H3/t17-/m1/s1