4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

Systemtic Name: 4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-2-phenyl-thiazole CAS Name: 4-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]-2-phenylthiazole IUPAC Name: 4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]-2-phenyl-thiazole Formula: C20H23N4O2S3+ MolecularWeight: 447.61722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S3/c1-23-9-11-24(12-10-23)29(25,26)18-7-8-19(21-13-18)27-14-17-15-28-20(22-17)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3/p+1