2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethanenitrile

Systemtic Name: 2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethanenitrile Openeye Name: 2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)acetonitrile CAS Name: 2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)acetonitrile IUPAC Name: 2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)acetonitrile Traditional Name: 2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)acetonitrile Formula: C10H9N2S+ MolecularWeight: 189.25686

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CC#N

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CC#N

InChI

InChI=1S/C10H9N2S/c1-12-8-4-2-3-5-9(8)13-10(12)6-7-11/h2-5H,6H2,1H3/q+1