Chemical Component Summary

Name4-[(1S,2R)-3-(4-FLUOROPHENYL)-2-HYDROXY-1-(1H-1,2,4-TRIAZOL-1-YL)PROPYL]BENZONITRILE
Identifiers4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
FormulaC18 H15 F N4 O
Molecular Weight322.336
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F
InChIInChI=1S/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2/t17-,18+/m1/s1
InChIKeySLJZVZKQYSKYNV-MSOLQXFVSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count2
Bond Count41
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 5494421
ChEBI CHEBI:42665