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

Systemtic Name: 3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)butane-1,3-diol Openeye Name: 3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)butane-1,3-diol CAS Name: 3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)butane-1,3-diol IUPAC Name: 3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)butane-1,3-diol Traditional Name: 3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)butane-1,3-diol Formula: C12H13Cl2N3O2 MolecularWeight: 302.15652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C(CCO)(CC2=NC=NN2)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C(CCO)(CC2=NC=NN2)O

InChI

InChI=1S/C12H13Cl2N3O2/c13-8-1-2-9(10(14)5-8)12(19,3-4-18)6-11-15-7-16-17-11/h1-2,5,7,18-19H,3-4,6H2,(H,15,16,17)