N-(4-chloranyl-2-fluoranyl-phenyl)-4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-4-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-4-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H15ClFN3O5S MolecularWeight: 463.866603

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC(=O)CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClFN3O5S/c21-13-4-5-16(15(22)9-13)24-20(27)12-3-6-18(17(8-12)25(28)29)31-11-19(26)23-10-14-2-1-7-30-14/h1-9H,10-11H2,(H,23,26)(H,24,27)