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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-propyl-1H-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-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-tosylpiperazino)ethanone Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H25N5O3S2/c1-3-4-16-19-18(21-20-16)27-13-17(24)22-9-11-23(12-10-22)28(25,26)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,19,20,21)