1-[[4-ethyl-5-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[4-ethyl-5-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C20H33N5O2S MolecularWeight: 407.57332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NN=C(N2CC)CN3CCCCCC3=O

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NN=C(N2CC)CN3CCCCCC3=O

InChI

InChI=1S/C20H33N5O2S/c1-3-16-10-7-9-13-25(16)19(27)15-28-20-22-21-17(24(20)4-2)14-23-12-8-5-6-11-18(23)26/h16H,3-15H2,1-2H3