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

Systemtic Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H23N5O3S3 MolecularWeight: 477.62332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H23N5O3S3/c1-23-19(17-8-5-13-29-17)21-22-20(23)30-14-18(26)24-9-11-25(12-10-24)31(27,28)15-16-6-3-2-4-7-16/h2-8,13H,9-12,14-15H2,1H3