5-(pyridin-1-ium-1-ylmethyl)-3H-1,3,4-thiadiazol-2-one

Systemtic Name: 5-(pyridin-1-ium-1-ylmethyl)-3H-1,3,4-thiadiazol-2-one Openeye Name: 5-(pyridin-1-ium-1-ylmethyl)-3H-1,3,4-thiadiazol-2-one CAS Name: 5-(1-pyridin-1-iumylmethyl)-3H-1,3,4-thiadiazol-2-one IUPAC Name: 5-(pyridin-1-ium-1-ylmethyl)-3H-1,3,4-thiadiazol-2-one Traditional Name: 5-(pyridin-1-ium-1-ylmethyl)-3H-1,3,4-thiadiazol-2-one Formula: C8H8N3OS+ MolecularWeight: 194.23362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=NNC(=O)S2

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=NNC(=O)S2

InChI

InChI=1S/C8H7N3OS/c12-8-10-9-7(13-8)6-11-4-2-1-3-5-11/h1-5H,6H2/p+1