4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitro-benzamide

Systemtic Name: 4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitro-benzamide Openeye Name: 4-[2-(2-furylmethylsulfanyl)ethylamino]-3-nitro-benzamide CAS Name: 4-[2-(2-furanylmethylthio)ethylamino]-3-nitrobenzamide IUPAC Name: 4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitrobenzamide Traditional Name: 4-[2-(2-furfurylthio)ethylamino]-3-nitro-benzamide Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCCNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CSCCNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4S/c15-14(18)10-3-4-12(13(8-10)17(19)20)16-5-7-22-9-11-2-1-6-21-11/h1-4,6,8,16H,5,7,9H2,(H2,15,18)