2-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]carbonylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[[5-(3-chloro-4-methyl-phenyl)furan-2-carbonyl]carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[[5-(3-chloro-4-methylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[[5-(3-chloro-4-methyl-phenyl)-2-furoyl]thiocarbamoylamino]-4-nitro-phenolate Formula: C19H13ClN3O5S- MolecularWeight: 430.84162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C19H14ClN3O5S/c1-10-2-3-11(8-13(10)20)16-6-7-17(28-16)18(25)22-19(29)21-14-9-12(23(26)27)4-5-15(14)24/h2-9,24H,1H3,(H2,21,22,25,29)/p-1