1-[[4-ethyl-5-[2-(2-methyl-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-(2-methyl-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-(2-methyl-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-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(NC3=CC=CC=C32)C)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(NC3=CC=CC=C32)C)CN4CCCCCC4=O

InChI

InChI=1S/C22H27N5O2S/c1-3-27-19(13-26-12-8-4-5-11-20(26)29)24-25-22(27)30-14-18(28)21-15(2)23-17-10-7-6-9-16(17)21/h6-7,9-10,23H,3-5,8,11-14H2,1-2H3