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

Systemtic Name: 1-[[5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCCCC4=O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCCCC4=O

InChI

InChI=1S/C23H25N5O3S/c1-31-18-11-9-17(10-12-18)19(29)16-32-23-26-25-21(28(23)20-7-4-5-13-24-20)15-27-14-6-2-3-8-22(27)30/h4-5,7,9-13H,2-3,6,8,14-16H2,1H3