2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-31-22-15-9-8-14-21(22)24-27-28-25(29(24)20-12-6-3-7-13-20)32-18-23(30)26-17-16-19-10-4-2-5-11-19/h2,4-5,8-11,14-15,20H,3,6-7,12-13,16-18H2,1H3,(H,26,30)