4-chloranyl-7-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole

Systemtic Name: 4-chloranyl-7-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole Openeye Name: 4-chloro-7-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole CAS Name: 4-chloro-7-(1-pyridin-1-iumylmethyl)-2,1,3-benzothiadiazole IUPAC Name: 4-chloro-7-(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole Traditional Name: 4-chloro-7-(pyridin-1-ium-1-ylmethyl)piazthiole Formula: C12H9ClN3S+ MolecularWeight: 262.73796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC=C(C3=NSN=C23)Cl

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC=C(C3=NSN=C23)Cl

InChI

InChI=1S/C12H9ClN3S/c13-10-5-4-9(11-12(10)15-17-14-11)8-16-6-2-1-3-7-16/h1-7H,8H2/q+1