3-[5-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(1-azocanyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C16H27N5O2S MolecularWeight: 353.48288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCCCC2)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCCCC2)CCC(=O)N

InChI

InChI=1S/C16H27N5O2S/c1-2-21-14(9-8-13(17)22)18-19-16(21)24-12-15(23)20-10-6-4-3-5-7-11-20/h2-12H2,1H3,(H2,17,22)