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

Systemtic Name: 4-[4-(4-fluorophenyl)-5-(2-oxidanylpropyl)-3H-1,2,4-triazol-2-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-fluorophenyl)-5-(2-hydroxypropyl)-3H-1,2,4-triazol-2-yl]benzonitrile CAS Name: 4-[4-(4-fluorophenyl)-5-(2-hydroxypropyl)-3H-1,2,4-triazol-2-yl]benzonitrile IUPAC Name: 4-[4-(4-fluorophenyl)-5-(2-hydroxypropyl)-3H-1,2,4-triazol-2-yl]benzonitrile Traditional Name: 4-[4-(4-fluorophenyl)-5-(2-hydroxypropyl)-3H-1,2,4-triazol-2-yl]benzonitrile Formula: C18H17FN4O MolecularWeight: 324.352183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN4O/c1-13(24)10-18-21-23(17-6-2-14(11-20)3-7-17)12-22(18)16-8-4-15(19)5-9-16/h2-9,13,24H,10,12H2,1H3