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

Systemtic Name: N-(2-ethanoylphenyl)-2-[[5-[(2-oxidanylideneazepan-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-acetylphenyl)-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-acetylphenyl)-2-[[5-[(2-oxo-1-azepanyl)methyl]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-acetylphenyl)-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-acetylphenyl)-2-[[5-[(2-ketoazepan-1-yl)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H26N6O3S MolecularWeight: 478.56664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCCCC4=O

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCCCC4=O

InChI

InChI=1S/C24H26N6O3S/c1-17(31)18-9-4-5-10-19(18)26-22(32)16-34-24-28-27-21(30(24)20-11-6-7-13-25-20)15-29-14-8-2-3-12-23(29)33/h4-7,9-11,13H,2-3,8,12,14-16H2,1H3,(H,26,32)