azanium 3-(2-methyl-3-sulfanyl-propanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: azanium 3-(2-methyl-3-sulfanyl-propanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: ammonium 3-(2-methyl-3-sulfanyl-propanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: ammonium 3-(3-mercapto-2-methyl-1-oxopropyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate IUPAC Name: azanium 3-(2-methyl-3-sulfanylpropanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: ammonium 3-(3-mercapto-2-methyl-propanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(SC(=N1)C2=CC=CC=C2)C(=O)[O-].[NH4+]

Isomeric SMILES

CC(CS)C(=O)N1C(SC(=N1)C2=CC=CC=C2)C(=O)[O-].[NH4+]

InChI

InChI=1S/C13H14N2O3S2.H3N/c1-8(7-19)11(16)15-12(13(17)18)20-10(14-15)9-5-3-2-4-6-9;/h2-6,8,12,19H,7H2,1H3,(H,17,18);1H3