2-(2,4-dimethylphenyl)sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(2,4-dimethylphenyl)sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(2,4-dimethylphenyl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(2,4-dimethylphenyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(2,4-dimethylphenyl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(2,4-dimethylphenyl)thio]-5-nitro-benzonitrile Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C15H12N2O2S/c1-10-3-5-14(11(2)7-10)20-15-6-4-13(17(18)19)8-12(15)9-16/h3-8H,1-2H3