4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)C(=O)O)(C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(SC(=N1)C(=O)O)(C)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O3S/c1-8(15)14-12(2,9-6-4-3-5-7-9)18-10(13-14)11(16)17/h3-7H,1-2H3,(H,16,17)