3-(3,5-dimethyl-2-oxidanidylsulfonothioyl-phenyl)benzenecarbonitrile

Systemtic Name: 3-(3,5-dimethyl-2-oxidanidylsulfonothioyl-phenyl)benzenecarbonitrile Openeye Name: 3-(3,5-dimethyl-2-oxidosulfonothioyl-phenyl)benzonitrile CAS Name: 3-(3,5-dimethyl-2-oxidosulfonothioylphenyl)benzonitrile IUPAC Name: 3-(3,5-dimethyl-2-oxidosulfonothioylphenyl)benzonitrile Traditional Name: 3-(3,5-dimethyl-2-oxidosulfonothioyl-phenyl)benzonitrile Formula: C15H12NO2S2- MolecularWeight: 302.39128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO2S2/c1-10-6-11(2)15(20(17,18)19)14(7-10)13-5-3-4-12(8-13)9-16/h3-8H,1-2H3,(H,17,18,19)/p-1