3-methyl-1,3-benzothiazol-3-ium-2-carbothialdehyde

Systemtic Name: 3-methyl-1,3-benzothiazol-3-ium-2-carbothialdehyde Openeye Name: 3-methyl-1,3-benzothiazol-3-ium-2-carbothialdehyde CAS Name: 3-methyl-1,3-benzothiazol-3-ium-2-carbothioaldehyde IUPAC Name: 3-methyl-1,3-benzothiazol-3-ium-2-carbothialdehyde Traditional Name: 3-methyl-1,3-benzothiazol-3-ium-2-carbothialdehyde Formula: C9H8NS2+ MolecularWeight: 194.29652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8NS2/c1-10-7-4-2-3-5-8(7)12-9(10)6-11/h2-6H,1H3/q+1