2,2-dimethyl-3-(4-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)butane-1,3-diol

Systemtic Name: 2,2-dimethyl-3-(4-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)butane-1,3-diol Openeye Name: 3-(4-isopropylphenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butane-1,3-diol CAS Name: 2,2-dimethyl-3-(4-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)butane-1,3-diol IUPAC Name: 2,2-dimethyl-3-(4-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)butane-1,3-diol Traditional Name: 2,2-dimethyl-3-p-cumenyl-4-(1,2,4-triazol-1-yl)butane-1,3-diol Formula: C17H25N3O2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CN2C=NC=N2)(C(C)(C)CO)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(CN2C=NC=N2)(C(C)(C)CO)O

InChI

InChI=1S/C17H25N3O2/c1-13(2)14-5-7-15(8-6-14)17(22,16(3,4)10-21)9-20-12-18-11-19-20/h5-8,11-13,21-22H,9-10H2,1-4H3