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

Systemtic Name: 1-[[4-ethyl-5-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CN2)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CN2)CN3CCCCCC3=O

InChI

InChI=1S/C17H23N5O2S/c1-2-22-15(11-21-10-5-3-4-8-16(21)24)19-20-17(22)25-12-14(23)13-7-6-9-18-13/h6-7,9,18H,2-5,8,10-12H2,1H3