2-[[4-[2-(furan-2-ylmethylcarbamothioyl)hydrazinyl]-3-nitro-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[4-[2-(furan-2-ylmethylcarbamothioyl)hydrazinyl]-3-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[4-[2-(2-furylmethylcarbamothioyl)hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[4-[[(2-furanylmethylamino)-sulfanylidenemethyl]hydrazo]-3-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[4-[2-(furan-2-ylmethylcarbamothioyl)hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[4-[N'-(2-furfurylthiocarbamoyl)hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid Formula: C19H17N5O7S2 MolecularWeight: 491.49758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O7S2/c25-18(26)14-5-1-2-6-15(14)23-33(29,30)13-7-8-16(17(10-13)24(27)28)21-22-19(32)20-11-12-4-3-9-31-12/h1-10,21,23H,11H2,(H,25,26)(H2,20,22,32)