2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C19H23N5O4S2 MolecularWeight: 449.54702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=CN3C4CC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=CN3C4CC4

InChI

InChI=1S/C19H23N5O4S2/c1-14(25)15-2-6-17(7-3-15)30(27,28)23-10-8-22(9-11-23)18(26)12-29-19-21-20-13-24(19)16-4-5-16/h2-3,6-7,13,16H,4-5,8-12H2,1H3