2-(2-pyridin-1-ium-2-ylsulfanylethylsulfonyl)-1,3-benzothiazole

Systemtic Name: 2-(2-pyridin-1-ium-2-ylsulfanylethylsulfonyl)-1,3-benzothiazole Openeye Name: 2-(2-pyridin-1-ium-2-ylsulfanylethylsulfonyl)-1,3-benzothiazole CAS Name: 2-[2-(2-pyridin-1-iumylthio)ethylsulfonyl]-1,3-benzothiazole IUPAC Name: 2-(2-pyridin-1-ium-2-ylsulfanylethylsulfonyl)-1,3-benzothiazole Traditional Name: 2-[2-(pyridin-1-ium-2-ylthio)ethylsulfonyl]-1,3-benzothiazole Formula: C14H13N2O2S3+ MolecularWeight: 337.46022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CCSC3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CCSC3=CC=CC=[NH+]3

InChI

InChI=1S/C14H12N2O2S3/c17-21(18,10-9-19-13-7-3-4-8-15-13)14-16-11-5-1-2-6-12(11)20-14/h1-8H,9-10H2/p+1