2-methyl-2-(3-nitro-4-phenylsulfanyl-phenyl)propanenitrile

Systemtic Name: 2-methyl-2-(3-nitro-4-phenylsulfanyl-phenyl)propanenitrile Openeye Name: 2-methyl-2-(3-nitro-4-phenylsulfanyl-phenyl)propanenitrile CAS Name: 2-methyl-2-[3-nitro-4-(phenylthio)phenyl]propanenitrile IUPAC Name: 2-methyl-2-(3-nitro-4-phenylsulfanylphenyl)propanenitrile Traditional Name: 2-methyl-2-[3-nitro-4-(phenylthio)phenyl]propionitrile Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#N)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

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