3-(propylsulfonylmethyl)benzenecarbonitrile

Systemtic Name: 3-(propylsulfonylmethyl)benzenecarbonitrile Openeye Name: 3-(propylsulfonylmethyl)benzonitrile CAS Name: 3-(propylsulfonylmethyl)benzonitrile IUPAC Name: 3-(propylsulfonylmethyl)benzonitrile Traditional Name: 3-(propylsulfonylmethyl)benzonitrile Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCS(=O)(=O)CC1=CC=CC(=C1)C#N

InChI

InChI=1S/C11H13NO2S/c1-2-6-15(13,14)9-11-5-3-4-10(7-11)8-12/h3-5,7H,2,6,9H2,1H3