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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN1C=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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