4-(2-hydroxyethylsulfanyl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(2-hydroxyethylsulfanyl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(2-hydroxyethylsulfanyl)-3-nitro-benzonitrile CAS Name: 4-(2-hydroxyethylthio)-3-nitrobenzonitrile IUPAC Name: 4-(2-hydroxyethylsulfanyl)-3-nitrobenzonitrile Traditional Name: 4-(2-hydroxyethylthio)-3-nitro-benzonitrile Formula: C9H8N2O3S MolecularWeight: 224.23642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCO

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCO

InChI

InChI=1S/C9H8N2O3S/c10-6-7-1-2-9(15-4-3-12)8(5-7)11(13)14/h1-2,5,12H,3-4H2