2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H23N5O3S2/c1-2-15-18-17(20-19-15)26-12-16(23)21-8-10-22(11-9-21)27(24,25)13-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,18,19,20)