2-(3,5-dimethylphenyl)sulfanyl-6-nitro-benzenecarbonitrile

Systemtic Name: 2-(3,5-dimethylphenyl)sulfanyl-6-nitro-benzenecarbonitrile Openeye Name: 2-(3,5-dimethylphenyl)sulfanyl-6-nitro-benzonitrile CAS Name: 2-[(3,5-dimethylphenyl)thio]-6-nitrobenzonitrile IUPAC Name: 2-(3,5-dimethylphenyl)sulfanyl-6-nitrobenzonitrile Traditional Name: 2-[(3,5-dimethylphenyl)thio]-6-nitro-benzonitrile Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=CC=CC(=C2C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=CC=CC(=C2C#N)[N+](=O)[O-])C

InChI

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