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

Systemtic Name: 1-[[4-ethyl-5-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)CN4CCCCCC4=O

InChI

InChI=1S/C21H25N5O2S/c1-2-26-19(13-25-11-7-3-4-10-20(25)28)23-24-21(26)29-14-18(27)16-12-22-17-9-6-5-8-15(16)17/h5-6,8-9,12,22H,2-4,7,10-11,13-14H2,1H3