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

Systemtic Name: 4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(2-fluorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(2-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H14FN5S MolecularWeight: 387.432763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CN=CC=C4)F

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CN=CC=C4)F

InChI

InChI=1S/C21H14FN5S/c22-18-5-1-2-6-19(18)27-20(17-4-3-11-24-13-17)25-26-21(27)28-14-16-9-7-15(12-23)8-10-16/h1-11,13H,14H2