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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(C2=CC=C(C=C2)C#N)N3C=NN=C3)O)F

Isomeric SMILES

C1=CC(=CC=C1CC(C(C2=CC=C(C=C2)C#N)N3C=NN=C3)O)F

InChI

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