(4R,5R)-3-oxidanyl-5-phenyl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one

Systemtic Name: (4R,5R)-3-oxidanyl-5-phenyl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Openeye Name: (4R,5R)-3-hydroxy-5-phenyl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one CAS Name: (4R,5R)-3-hydroxy-5-phenyl-4-(1,2,4-triazol-1-yl)-1-cyclohex-2-enone IUPAC Name: (4R,5R)-3-hydroxy-5-phenyl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Traditional Name: (4R,5R)-3-hydroxy-5-phenyl-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Formula: C14H13N3O2 MolecularWeight: 255.27192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=CC1=O)O)N2C=NC=N2)C3=CC=CC=C3

Isomeric SMILES

C1[C@@H]([C@H](C(=CC1=O)O)N2C=NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C14H13N3O2/c18-11-6-12(10-4-2-1-3-5-10)14(13(19)7-11)17-9-15-8-16-17/h1-5,7-9,12,14,19H,6H2/t12-,14-/m1/s1