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

Systemtic Name: 4-[[5-(4-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(4-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H17FN4S MolecularWeight: 400.471283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN4S/c24-21-12-10-20(11-13-21)22-26-27-23(28(22)15-18-4-2-1-3-5-18)29-16-19-8-6-17(14-25)7-9-19/h1-13H,15-16H2