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

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N5O3S2/c1-13-17-16(19-18-13)25-11-15(22)20-7-9-21(10-8-20)26(23,24)12-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,17,18,19)