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

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-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-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H27N5O4S2 MolecularWeight: 477.60018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C4CC4

InChI

InChI=1S/C21H27N5O4S2/c1-3-26-20(17-4-5-17)22-23-21(26)31-14-19(28)24-10-12-25(13-11-24)32(29,30)18-8-6-16(7-9-18)15(2)27/h6-9,17H,3-5,10-14H2,1-2H3