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

Systemtic Name: N-ethyl-2-[[5-[(2-oxidanylideneazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-ethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-ethyl-2-[[5-[(2-oxo-1-azepanyl)methyl]-4-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-ethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-ethyl-2-[[5-[(2-ketoazepan-1-yl)methyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NN=C(N1C2=CN=CC=C2)CN3CCCCCC3=O

Isomeric SMILES

CCNC(=O)CSC1=NN=C(N1C2=CN=CC=C2)CN3CCCCCC3=O

InChI

InChI=1S/C18H24N6O2S/c1-2-20-16(25)13-27-18-22-21-15(24(18)14-7-6-9-19-11-14)12-23-10-5-3-4-8-17(23)26/h6-7,9,11H,2-5,8,10,12-13H2,1H3,(H,20,25)