3,3-dimethyl-1-(4-phenylphenoxy)-2-(1,2,4-triazol-1-ylmethyl)pent-4-yn-2-ol

Systemtic Name: 3,3-dimethyl-1-(4-phenylphenoxy)-2-(1,2,4-triazol-1-ylmethyl)pent-4-yn-2-ol Openeye Name: 3,3-dimethyl-1-(4-phenylphenoxy)-2-(1,2,4-triazol-1-ylmethyl)pent-4-yn-2-ol CAS Name: 3,3-dimethyl-1-(4-phenylphenoxy)-2-(1,2,4-triazol-1-ylmethyl)-4-pentyn-2-ol IUPAC Name: 3,3-dimethyl-1-(4-phenylphenoxy)-2-(1,2,4-triazol-1-ylmethyl)pent-4-yn-2-ol Traditional Name: 3,3-dimethyl-1-(4-phenylphenoxy)-2-(1,2,4-triazol-1-ylmethyl)pent-4-yn-2-ol Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)C(CN1C=NC=N1)(COC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C#C)C(CN1C=NC=N1)(COC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H23N3O2/c1-4-21(2,3)22(26,14-25-17-23-16-24-25)15-27-20-12-10-19(11-13-20)18-8-6-5-7-9-18/h1,5-13,16-17,26H,14-15H2,2-3H3