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

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H20N6O5S2 MolecularWeight: 488.54

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NN=CN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NN=CN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O5S2/c27-19(14-32-20-22-21-15-25(20)16-5-2-1-3-6-16)23-9-11-24(12-10-23)33(30,31)18-8-4-7-17(13-18)26(28)29/h1-8,13,15H,9-12,14H2