2-[4-(2-iodanylethynyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 2-[4-(2-iodanylethynyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 2-[4-(2-iodoethynyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 2-[4-(2-iodoethynyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 2-[4-(2-iodoethynyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 2-[4-(2-iodoethynyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C15H16IN3O MolecularWeight: 381.21151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1C=NC=N1)(C2=CC=C(C=C2)C#CI)O

Isomeric SMILES

CC(C)C(CN1C=NC=N1)(C2=CC=C(C=C2)C#CI)O

InChI

InChI=1S/C15H16IN3O/c1-12(2)15(20,9-19-11-17-10-18-19)14-5-3-13(4-6-14)7-8-16/h3-6,10-12,20H,9H2,1-2H3