3-(4-chlorophenyl)-2-methyl-4-(1H-1,2,4-triazol-5-yl)butane-1,3-diol

Systemtic Name: 3-(4-chlorophenyl)-2-methyl-4-(1H-1,2,4-triazol-5-yl)butane-1,3-diol Openeye Name: 3-(4-chlorophenyl)-2-methyl-4-(1H-1,2,4-triazol-5-yl)butane-1,3-diol CAS Name: 3-(4-chlorophenyl)-2-methyl-4-(1H-1,2,4-triazol-5-yl)butane-1,3-diol IUPAC Name: 3-(4-chlorophenyl)-2-methyl-4-(1H-1,2,4-triazol-5-yl)butane-1,3-diol Traditional Name: 3-(4-chlorophenyl)-2-methyl-4-(1H-1,2,4-triazol-5-yl)butane-1,3-diol Formula: C13H16ClN3O2 MolecularWeight: 281.73804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(CC1=NC=NN1)(C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(CO)C(CC1=NC=NN1)(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C13H16ClN3O2/c1-9(7-18)13(19,6-12-15-8-16-17-12)10-2-4-11(14)5-3-10/h2-5,8-9,18-19H,6-7H2,1H3,(H,15,16,17)