1-(azepan-1-yl)-2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[[5-(2-methylallylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[[5-(2-methylprop-2-enylthio)-1,3,4-thiadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[[5-(2-methylallylthio)-1,3,4-thiadiazol-2-yl]thio]propan-1-one Formula: C15H23N3OS3 MolecularWeight: 357.55762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN=C(S2)SCC(=C)C

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NN=C(S2)SCC(=C)C

InChI

InChI=1S/C15H23N3OS3/c1-11(2)10-20-14-16-17-15(22-14)21-12(3)13(19)18-8-6-4-5-7-9-18/h12H,1,4-10H2,2-3H3