2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[[4-ethyl-5-[(2-oxo-1-azepanyl)methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-ethyl-5-[(2-ketoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-isopropyl-N-phenyl-acetamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C2=CC=CC=C2)C(C)C)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C2=CC=CC=C2)C(C)C)CN3CCCCCC3=O

InChI

InChI=1S/C22H31N5O2S/c1-4-26-19(15-25-14-10-6-9-13-20(25)28)23-24-22(26)30-16-21(29)27(17(2)3)18-11-7-5-8-12-18/h5,7-8,11-12,17H,4,6,9-10,13-16H2,1-3H3