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

Systemtic Name: 4-[4-(4-fluorophenyl)-5-(2-oxidanylbutyl)-3H-1,2,4-triazol-2-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-fluorophenyl)-5-(2-hydroxybutyl)-3H-1,2,4-triazol-2-yl]benzonitrile CAS Name: 4-[4-(4-fluorophenyl)-5-(2-hydroxybutyl)-3H-1,2,4-triazol-2-yl]benzonitrile IUPAC Name: 4-[4-(4-fluorophenyl)-5-(2-hydroxybutyl)-3H-1,2,4-triazol-2-yl]benzonitrile Traditional Name: 4-[4-(4-fluorophenyl)-5-(2-hydroxybutyl)-3H-1,2,4-triazol-2-yl]benzonitrile Formula: C19H19FN4O MolecularWeight: 338.378763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=NN(CN1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCC(CC1=NN(CN1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C19H19FN4O/c1-2-18(25)11-19-22-24(17-7-3-14(12-21)4-8-17)13-23(19)16-9-5-15(20)6-10-16/h3-10,18,25H,2,11,13H2,1H3