1-(4-cyclohexylphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C22H25N3OS2/c1-25-21(14-19-8-5-13-27-19)23-24-22(25)28-15-20(26)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h5,8-13,16H,2-4,6-7,14-15H2,1H3