3-[(5-methyl-2-oxidanylsulfonothioyl-phenyl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(5-methyl-2-oxidanylsulfonothioyl-phenyl)methyl]benzenecarbonitrile Openeye Name: 3-[(2-hydroxysulfonothioyl-5-methyl-phenyl)methyl]benzonitrile CAS Name: 3-[(2-hydroxysulfonothioyl-5-methylphenyl)methyl]benzonitrile IUPAC Name: 3-[(2-hydroxysulfonothioyl-5-methylphenyl)methyl]benzonitrile Traditional Name: 3-(2-hydroxysulfonothioyl-5-methyl-benzyl)benzonitrile Formula: C15H13NO2S2 MolecularWeight: 303.39922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=S)O)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=S)O)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H13NO2S2/c1-11-5-6-15(20(17,18)19)14(7-11)9-12-3-2-4-13(8-12)10-16/h2-8H,9H2,1H3,(H,17,18,19)