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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(4-fluorophenyl)sulfonylpiperazino]ethanone Formula: C17H20FN5O3S2 MolecularWeight: 425.500803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H20FN5O3S2/c18-13-3-5-14(6-4-13)28(25,26)23-9-7-22(8-10-23)15(24)11-27-17-19-16(20-21-17)12-1-2-12/h3-6,12H,1-2,7-11H2,(H,19,20,21)