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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-tosylpiperazino)ethanone Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=CN3C

InChI

InChI=1S/C16H21N5O3S2/c1-13-3-5-14(6-4-13)26(23,24)21-9-7-20(8-10-21)15(22)11-25-16-18-17-12-19(16)2/h3-6,12H,7-11H2,1-2H3