4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-3-nitro-phenol

Systemtic Name: 4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-3-nitro-phenol Openeye Name: 4-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]-3-nitro-phenol CAS Name: 4-[[5-[(methylthio)methyl]-2-furanyl]methylamino]-3-nitrophenol IUPAC Name: 4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-3-nitrophenol Traditional Name: 4-[[5-[(methylthio)methyl]-2-furyl]methylamino]-3-nitro-phenol Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)CNC2=C(C=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CSCC1=CC=C(O1)CNC2=C(C=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4S/c1-20-8-11-4-3-10(19-11)7-14-12-5-2-9(16)6-13(12)15(17)18/h2-6,14,16H,7-8H2,1H3