2-methylsulfanyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium

Systemtic Name: 2-methylsulfanyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium Openeye Name: 3-benzyl-2-methylsulfanyl-1,3-benzothiazol-3-ium CAS Name: 2-(methylthio)-3-(phenylmethyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-benzyl-2-methylsulfanyl-1,3-benzothiazol-3-ium Traditional Name: 3-benzyl-2-(methylthio)-1,3-benzothiazol-3-ium Formula: C15H14NS2+ MolecularWeight: 272.40836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3

Isomeric SMILES

CSC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3

InChI

InChI=1S/C15H14NS2/c1-17-15-16(11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-15/h2-10H,11H2,1H3/q+1