N-[4-(4-ethanoylpiperazin-1-yl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(4-ethanoylpiperazin-1-yl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(4-acetylpiperazino)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C22H25N6O2S+ MolecularWeight: 437.5379

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O2S/c1-17(29)26-11-13-27(14-12-26)19-9-7-18(8-10-19)25-21(30)15-31-22-23-16-24-28(22)20-5-3-2-4-6-20/h2-10,16H,11-15H2,1H3,(H,25,30)/p+1