7-chloranyl-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)hept-4-yn-3-ol

Systemtic Name: 7-chloranyl-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)hept-4-yn-3-ol Openeye Name: 7-chloro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)hept-4-yn-3-ol CAS Name: 7-chloro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-4-heptyn-3-ol IUPAC Name: 7-chloro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)hept-4-yn-3-ol Traditional Name: 7-chloro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)hept-4-yn-3-ol Formula: C12H18ClN3O MolecularWeight: 255.74382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=NC=N1)(C#CCCCl)O

Isomeric SMILES

CC(C)(C)C(CN1C=NC=N1)(C#CCCCl)O

InChI

InChI=1S/C12H18ClN3O/c1-11(2,3)12(17,6-4-5-7-13)8-16-10-14-9-15-16/h9-10,17H,5,7-8H2,1-3H3