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

Systemtic Name: 4-[4-(4-fluorophenyl)-5-(2-oxidanylidenebutyl)-3H-1,2,4-triazol-2-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-fluorophenyl)-5-(2-oxobutyl)-3H-1,2,4-triazol-2-yl]benzonitrile CAS Name: 4-[4-(4-fluorophenyl)-5-(2-oxobutyl)-3H-1,2,4-triazol-2-yl]benzonitrile IUPAC Name: 4-[4-(4-fluorophenyl)-5-(2-oxobutyl)-3H-1,2,4-triazol-2-yl]benzonitrile Traditional Name: 4-[4-(4-fluorophenyl)-5-(2-ketobutyl)-3H-1,2,4-triazol-2-yl]benzonitrile Formula: C19H17FN4O MolecularWeight: 336.362883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN4O/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/h3-10H,2,11,13H2,1H3