1-methyl-4-[6-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C22H23N6O2S3+ MolecularWeight: 499.65202

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C22H22N6O2S3/c1-26-11-13-27(14-12-26)33(29,30)18-9-10-20(23-16-18)32-22-25-24-21(19-8-5-15-31-19)28(22)17-6-3-2-4-7-17/h2-10,15-16H,11-14H2,1H3/p+1