2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-[2-(phenylthio)phenyl]acetamide Formula: C32H36N4OS2 MolecularWeight: 556.78444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C32H36N4OS2/c1-32(2,3)24-20-18-23(19-21-24)30-34-35-31(36(30)25-12-6-4-7-13-25)38-22-29(37)33-27-16-10-11-17-28(27)39-26-14-8-5-9-15-26/h5,8-11,14-21,25H,4,6-7,12-13,22H2,1-3H3,(H,33,37)