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

Systemtic Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CNC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H28N4O4S/c1-21-17(25)12-29-20-23-22-19(24(20)14-8-6-5-7-9-14)13-10-15(26-2)18(28-4)16(11-13)27-3/h10-11,14H,5-9,12H2,1-4H3,(H,21,25)