N-(4-methyl-1,3-benzothiazol-2-yl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-pyridin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-1-iumylthio)acetamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-pyridin-1-ium-2-ylsulfanylacetamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(pyridin-1-ium-2-ylthio)acetamide Formula: C15H14N3OS2+ MolecularWeight: 316.42116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=CC=CC=[NH+]3

InChI

InChI=1S/C15H13N3OS2/c1-10-5-4-6-11-14(10)18-15(21-11)17-12(19)9-20-13-7-2-3-8-16-13/h2-8H,9H2,1H3,(H,17,18,19)/p+1