3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C27H36N4O2S2 MolecularWeight: 512.73034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC(=CC=C4)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC(=CC=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C27H36N4O2S2/c1-27(2,3)22-16-14-21(15-17-22)25-28-29-26(31(25)23-11-7-6-8-12-23)34-19-20-10-9-13-24(18-20)35(32,33)30(4)5/h9-10,13-18,23H,6-8,11-12,19H2,1-5H3