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

Systemtic Name: 2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[[4-ethyl-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[4-ethyl-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C24H28N4O3S2 MolecularWeight: 484.63412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H28N4O3S2/c1-3-28-23(25-26-24(28)32-17-22(29)19-9-7-18(2)8-10-19)20-11-13-21(14-12-20)33(30,31)27-15-5-4-6-16-27/h7-14H,3-6,15-17H2,1-2H3