4-(furan-2-ylmethylsulfanyl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(furan-2-ylmethylsulfanyl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(2-furylmethylsulfanyl)-3-nitro-benzonitrile CAS Name: 4-(2-furanylmethylthio)-3-nitrobenzonitrile IUPAC Name: 4-(furan-2-ylmethylsulfanyl)-3-nitrobenzonitrile Traditional Name: 4-(2-furfurylthio)-3-nitro-benzonitrile Formula: C12H8N2O3S MolecularWeight: 260.26852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O3S/c13-7-9-3-4-12(11(6-9)14(15)16)18-8-10-2-1-5-17-10/h1-6H,8H2