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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-tosylpiperazino)ethanone Formula: C19H21N5O3S3 MolecularWeight: 463.59674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C19H21N5O3S3/c1-14-4-6-15(7-5-14)30(26,27)24-10-8-23(9-11-24)17(25)13-29-19-20-18(21-22-19)16-3-2-12-28-16/h2-7,12H,8-11,13H2,1H3,(H,20,21,22)