2-nitro-6-(4-propan-2-ylphenyl)sulfanyl-benzenecarbonitrile

Systemtic Name: 2-nitro-6-(4-propan-2-ylphenyl)sulfanyl-benzenecarbonitrile Openeye Name: 2-(4-isopropylphenyl)sulfanyl-6-nitro-benzonitrile CAS Name: 2-nitro-6-[(4-propan-2-ylphenyl)thio]benzonitrile IUPAC Name: 2-nitro-6-(4-propan-2-ylphenyl)sulfanylbenzonitrile Traditional Name: 2-nitro-6-(p-cumenylthio)benzonitrile Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=CC=CC(=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=CC=CC(=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O2S/c1-11(2)12-6-8-13(9-7-12)21-16-5-3-4-15(18(19)20)14(16)10-17/h3-9,11H,1-2H3