5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carboxylic acid Openeye Name: 5-methyl-2-phenyl-3-thioxo-1H-pyrazole-4-carboxylic acid CAS Name: 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carboxylic acid Traditional Name: 3-methyl-1-phenyl-5-thioxo-3-pyrazoline-4-carboxylic acid Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N(N1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=S)N(N1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C11H10N2O2S/c1-7-9(11(14)15)10(16)13(12-7)8-5-3-2-4-6-8/h2-6,12H,1H3,(H,14,15)