2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone CAS Name: 2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C17H22N4O3S4 MolecularWeight: 458.64158

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=NN=C(S1)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O3S4/c1-2-25-16-18-19-17(27-16)26-12-15(22)20-8-10-21(11-9-20)28(23,24)13-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3