4-nitro-2-(phenylmethylsulfanyl)benzenecarbonitrile

Systemtic Name: 4-nitro-2-(phenylmethylsulfanyl)benzenecarbonitrile Openeye Name: 2-benzylsulfanyl-4-nitro-benzonitrile CAS Name: 4-nitro-2-(phenylmethylthio)benzonitrile IUPAC Name: 2-benzylsulfanyl-4-nitrobenzonitrile Traditional Name: 2-(benzylthio)-4-nitro-benzonitrile Formula: C14H10N2O2S MolecularWeight: 270.3064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O2S/c15-9-12-6-7-13(16(17)18)8-14(12)19-10-11-4-2-1-3-5-11/h1-8H,10H2