2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-ethyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-ethyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)CS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20N4O2S2/c1-3-24-19(14-28(25,26)18-10-8-15(2)9-11-18)22-23-20(24)27-13-17-7-5-4-6-16(17)12-21/h4-11H,3,13-14H2,1-2H3