4-[3-(4-fluorophenyl)-3-oxidanyl-1-(1,2,4-triazol-1-yl)propyl]benzenecarbonitrile

Systemtic Name: 4-[3-(4-fluorophenyl)-3-oxidanyl-1-(1,2,4-triazol-1-yl)propyl]benzenecarbonitrile Openeye Name: 4-[3-(4-fluorophenyl)-3-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile CAS Name: 4-[3-(4-fluorophenyl)-3-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile IUPAC Name: 4-[3-(4-fluorophenyl)-3-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile Traditional Name: 4-[3-(4-fluorophenyl)-3-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile Formula: C18H15FN4O MolecularWeight: 322.336303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(CC(C2=CC=C(C=C2)F)O)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C#N)C(CC(C2=CC=C(C=C2)F)O)N3C=NC=N3

InChI

InChI=1S/C18H15FN4O/c19-16-7-5-15(6-8-16)18(24)9-17(23-12-21-11-22-23)14-3-1-13(10-20)2-4-14/h1-8,11-12,17-18,24H,9H2