2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-mesylphenyl)ethanone Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C18H23N3O3S2/c1-26(23,24)15-9-7-14(8-10-15)16(22)12-25-18-19-17(20-21-18)11-6-13-4-2-3-5-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,20,21)