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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexyl-acetamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H32N4O2S/c1-28-24(22-16-18-10-8-9-15-21(18)31-22)26-27-25(28)32-17-23(30)29(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h8-10,15-16,19-20H,2-7,11-14,17H2,1H3