4-[(4-nitrophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-nitrophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-nitrophenyl)sulfanylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[[(4-nitrophenyl)thio]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-nitrophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[(4-nitrophenyl)thio]methyl]thiazole-2-carboxylic acid Formula: C11H8N2O4S2 MolecularWeight: 296.32222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC2=CSC(=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C11H8N2O4S2/c14-11(15)10-12-7(6-19-10)5-18-9-3-1-8(2-4-9)13(16)17/h1-4,6H,5H2,(H,14,15)