1-[[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-(1,3-benzothiazol-2-ylmethylthio)-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-(1,3-benzothiazol-2-ylmethylthio)-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C19H23N5OS2 MolecularWeight: 401.54882

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)CN4CCCCCC4=O

InChI

InChI=1S/C19H23N5OS2/c1-2-24-16(12-23-11-7-3-4-10-18(23)25)21-22-19(24)26-13-17-20-14-8-5-6-9-15(14)27-17/h5-6,8-9H,2-4,7,10-13H2,1H3