(E,2R)-4-(4-bromophenyl)-2-pyridin-4-yl-1-(1,2,4-triazol-1-yl)but-3-en-2-ol

Systemtic Name: (E,2R)-4-(4-bromophenyl)-2-pyridin-4-yl-1-(1,2,4-triazol-1-yl)but-3-en-2-ol Openeye Name: (E,2R)-4-(4-bromophenyl)-2-(4-pyridyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol CAS Name: (E,2R)-4-(4-bromophenyl)-2-pyridin-4-yl-1-(1,2,4-triazol-1-yl)-3-buten-2-ol IUPAC Name: (E,2R)-4-(4-bromophenyl)-2-pyridin-4-yl-1-(1,2,4-triazol-1-yl)but-3-en-2-ol Traditional Name: (E,2R)-4-(4-bromophenyl)-2-(4-pyridyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol Formula: C17H15BrN4O MolecularWeight: 371.2312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(CN2C=NC=N2)(C3=CC=NC=C3)O)Br

Isomeric SMILES

C1=CC(=CC=C1/C=C/[C@](CN2C=NC=N2)(C3=CC=NC=C3)O)Br

InChI

InChI=1S/C17H15BrN4O/c18-16-3-1-14(2-4-16)5-8-17(23,11-22-13-20-12-21-22)15-6-9-19-10-7-15/h1-10,12-13,23H,11H2/b8-5+/t17-/m0/s1