4-chloranyl-3,3-dimethyl-1-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 4-chloranyl-3,3-dimethyl-1-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 4-chloro-3,3-dimethyl-1-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 4-chloro-3,3-dimethyl-1-phenoxy-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 4-chloro-3,3-dimethyl-1-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 4-chloro-3,3-dimethyl-1-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C14H18ClN3O2 MolecularWeight: 295.76462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(C(N1C=NC=N1)OC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(CCl)C(C(N1C=NC=N1)OC2=CC=CC=C2)O

InChI

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