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

Systemtic Name: N-butan-2-yl-2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-ethyl-5-[(2-oxo-1-azepanyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-ethyl-5-[(2-ketoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C17H29N5O2S MolecularWeight: 367.50946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NN=C(N1CC)CN2CCCCCC2=O

Isomeric SMILES

CCC(C)NC(=O)CSC1=NN=C(N1CC)CN2CCCCCC2=O

InChI

InChI=1S/C17H29N5O2S/c1-4-13(3)18-15(23)12-25-17-20-19-14(22(17)5-2)11-21-10-8-6-7-9-16(21)24/h13H,4-12H2,1-3H3,(H,18,23)