1-[[5-(2-chloranylprop-2-enylsulfanyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-(2-chloranylprop-2-enylsulfanyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-(2-chloroallylsulfanyl)-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-(2-chloroprop-2-enylthio)-4-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-(2-chloroprop-2-enylsulfanyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-(2-chloroallylthio)-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C17H20ClN5OS MolecularWeight: 377.8916

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CSC1=NN=C(N1C2=CN=CC=C2)CN3CCCCCC3=O)Cl

Isomeric SMILES

C=C(CSC1=NN=C(N1C2=CN=CC=C2)CN3CCCCCC3=O)Cl

InChI

InChI=1S/C17H20ClN5OS/c1-13(18)12-25-17-21-20-15(23(17)14-6-5-8-19-10-14)11-22-9-4-2-3-7-16(22)24/h5-6,8,10H,1-4,7,9,11-12H2