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

Systemtic Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H26N4O2S/c27-20(23-14-13-17-8-3-1-4-9-17)16-29-22-25-24-21(19-12-7-15-28-19)26(22)18-10-5-2-6-11-18/h1,3-4,7-9,12,15,18H,2,5-6,10-11,13-14,16H2,(H,23,27)