3-(2,5-dimethylphenyl)sulfanylazepan-2-one

Systemtic Name: 3-(2,5-dimethylphenyl)sulfanylazepan-2-one Openeye Name: 3-(2,5-dimethylphenyl)sulfanylazepan-2-one CAS Name: 3-[(2,5-dimethylphenyl)thio]-2-azepanone IUPAC Name: 3-(2,5-dimethylphenyl)sulfanylazepan-2-one Traditional Name: 3-[(2,5-dimethylphenyl)thio]azepan-2-one Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2CCCCNC2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2CCCCNC2=O

InChI

InChI=1S/C14H19NOS/c1-10-6-7-11(2)13(9-10)17-12-5-3-4-8-15-14(12)16/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16)