4-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[4-ethyl-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzonitrile CAS Name: 4-[[4-ethyl-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]-mercaptomethyl]benzonitrile IUPAC Name: 4-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-sulfanylmethyl]benzonitrile Traditional Name: 4-[[4-ethyl-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]-mercapto-methyl]benzonitrile Formula: C23H25N5O2S2 MolecularWeight: 467.6069

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1C(C2=CC=C(C=C2)C#N)S)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCN1C(=NN=C1C(C2=CC=C(C=C2)C#N)S)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H25N5O2S2/c1-2-28-22(25-26-23(28)21(31)18-8-6-17(16-24)7-9-18)19-10-12-20(13-11-19)32(29,30)27-14-4-3-5-15-27/h6-13,21,31H,2-5,14-15H2,1H3