4-fluoranyl-2-nitro-benzenesulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine

Systemtic Name: 4-fluoranyl-2-nitro-benzenesulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine Openeye Name: 4-fluoro-2-nitro-benzenesulfonic acid; 4-(4-methoxyphenyl)thiazol-2-amine CAS Name: 4-fluoro-2-nitrobenzenesulfonic acid; 4-(4-methoxyphenyl)-2-thiazolamine IUPAC Name: 4-fluoro-2-nitrobenzenesulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine Traditional Name: 4-fluoro-2-nitro-besylic acid; [4-(4-methoxyphenyl)thiazol-2-yl]amine Formula: C16H14FN3O6S2 MolecularWeight: 427.427263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)N.C1=CC(=C(C=C1F)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)N.C1=CC(=C(C=C1F)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C10H10N2OS.C6H4FNO5S/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9;7-4-1-2-6(14(11,12)13)5(3-4)8(9)10/h2-6H,1H3,(H2,11,12);1-3H,(H,11,12,13)