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

Systemtic Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(4-mesylpiperazino)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C21H25N6O3S2+ MolecularWeight: 473.5916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O3S2/c1-32(29,30)26-13-11-25(12-14-26)18-9-7-17(8-10-18)24-20(28)15-31-21-22-16-23-27(21)19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3,(H,24,28)/p+1