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

Systemtic Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C24H19FN4S MolecularWeight: 414.497863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CC=C4F

InChI

InChI=1S/C24H19FN4S/c25-22-13-7-6-12-21(22)23-27-28-24(29(23)15-14-18-8-2-1-3-9-18)30-17-20-11-5-4-10-19(20)16-26/h1-13H,14-15,17H2