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

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-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-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H25N5O4S2 MolecularWeight: 463.5736

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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=C(N3C)C4CC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=C(N3C)C4CC4

InChI

InChI=1S/C20H25N5O4S2/c1-14(26)15-5-7-17(8-6-15)31(28,29)25-11-9-24(10-12-25)18(27)13-30-20-22-21-19(23(20)2)16-3-4-16/h5-8,16H,3-4,9-13H2,1-2H3