4-oxidanyl-3-phenyl-1-(1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 4-oxidanyl-3-phenyl-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 4-hydroxy-3-phenyl-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 4-hydroxy-3-phenyl-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 4-hydroxy-3-phenyl-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 4-hydroxy-3-phenyl-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C12H13N3O2 MolecularWeight: 231.25052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)C(=O)CN2C=NC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(CO)C(=O)CN2C=NC=N2

InChI

InChI=1S/C12H13N3O2/c16-7-11(10-4-2-1-3-5-10)12(17)6-15-9-13-8-14-15/h1-5,8-9,11,16H,6-7H2