ethyl 5-methyl-2-phenylazanyl-1,3,4-thiadiazol-3-ium-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-phenylazanyl-1,3,4-thiadiazol-3-ium-3-carboxylate Openeye Name: ethyl 2-anilino-5-methyl-1,3,4-thiadiazol-3-ium-3-carboxylate CAS Name: 2-anilino-5-methyl-1,3,4-thiadiazol-3-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-anilino-5-methyl-1,3,4-thiadiazol-3-ium-3-carboxylate Traditional Name: 2-anilino-5-methyl-1,3,4-thiadiazol-3-ium-3-carboxylic acid ethyl ester Formula: C12H14N3O2S+ MolecularWeight: 264.32346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1=C(SC(=N1)C)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[N+]1=C(SC(=N1)C)NC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2S/c1-3-17-12(16)15-11(18-9(2)14-15)13-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3/p+1