2,6-bis(chloranyl)-4-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(chloranyl)-4-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]phenolate Openeye Name: 2,6-dichloro-4-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]phenolate CAS Name: 2,6-dichloro-4-[[[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dichloro-4-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]phenolate Traditional Name: 2,6-dichloro-4-[[5-(3-nitrophenyl)-2-furoyl]thiocarbamoylamino]phenolate Formula: C18H10Cl2N3O5S- MolecularWeight: 451.2601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C(=C3)Cl)[O-])Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C(=C3)Cl)[O-])Cl

InChI

InChI=1S/C18H11Cl2N3O5S/c19-12-7-10(8-13(20)16(12)24)21-18(29)22-17(25)15-5-4-14(28-15)9-2-1-3-11(6-9)23(26)27/h1-8,24H,(H2,21,22,25,29)/p-1