4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c15-14(19)9-3-4-12(11(6-9)17(20)21)23-8-13(18)16-7-10-2-1-5-22-10/h1-6H,7-8H2,(H2,15,19)(H,16,18)