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

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-nosylpiperazino)ethanone Formula: C17H20N6O5S2 MolecularWeight: 452.5079

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O5S2/c24-16(11-29-17-19-18-12-22(17)13-1-2-13)20-7-9-21(10-8-20)30(27,28)15-5-3-14(4-6-15)23(25)26/h3-6,12-13H,1-2,7-11H2