4-[3-(4-fluorophenyl)-5-(3-oxidanylpropyl)-1,2,4-triazol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(4-fluorophenyl)-5-(3-oxidanylpropyl)-1,2,4-triazol-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,2,4-triazol-1-yl]benzonitrile CAS Name: 4-[3-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,2,4-triazol-1-yl]benzonitrile IUPAC Name: 4-[3-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,2,4-triazol-1-yl]benzonitrile Traditional Name: 4-[3-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,2,4-triazol-1-yl]benzonitrile Formula: C18H15FN4O MolecularWeight: 322.336303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N2C(=NC(=N2)C3=CC=C(C=C3)F)CCCO

Isomeric SMILES

C1=CC(=CC=C1C#N)N2C(=NC(=N2)C3=CC=C(C=C3)F)CCCO

InChI

InChI=1S/C18H15FN4O/c19-15-7-5-14(6-8-15)18-21-17(2-1-11-24)23(22-18)16-9-3-13(12-20)4-10-16/h3-10,24H,1-2,11H2