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

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H27N5O3S2/c1-2-25-19(17-8-9-17)21-22-20(25)29-14-18(26)23-10-12-24(13-11-23)30(27,28)15-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3