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

Systemtic Name: 3-(4-chlorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butane-1,3-diol Openeye Name: 3-(4-chlorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butane-1,3-diol CAS Name: 3-(4-chlorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butane-1,3-diol IUPAC Name: 3-(4-chlorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butane-1,3-diol Traditional Name: 3-(4-chlorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butane-1,3-diol Formula: C14H18ClN3O2 MolecularWeight: 295.76462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(CO)C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H18ClN3O2/c1-13(2,8-19)14(20,7-18-10-16-9-17-18)11-3-5-12(15)6-4-11/h3-6,9-10,19-20H,7-8H2,1-2H3