4-(4-azanyl-3-nitro-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-(4-azanyl-3-nitro-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(4-amino-3-nitro-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-(4-amino-3-nitrophenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(4-amino-3-nitrophenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(4-amino-3-nitro-phenyl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C12H10N2O6S3 MolecularWeight: 374.4126

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O6S3/c1-21-12-10(5-9(22-12)11(15)16)23(19,20)6-2-3-7(13)8(4-6)14(17)18/h2-5H,13H2,1H3,(H,15,16)