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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC(=NN1C2=CC=CC=C2C#N)C3=CC=C(C=C3)F)O

Isomeric SMILES

CC(CC1=NC(=NN1C2=CC=CC=C2C#N)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C18H15FN4O/c1-12(24)10-17-21-18(13-6-8-15(19)9-7-13)22-23(17)16-5-3-2-4-14(16)11-20/h2-9,12,24H,10H2,1H3