3-methyl-N-[2,2,2-tris(chloranyl)-1-(4-methylphenyl)sulfanyl-ethyl]butanamide

Systemtic Name: 3-methyl-N-[2,2,2-tris(chloranyl)-1-(4-methylphenyl)sulfanyl-ethyl]butanamide Openeye Name: 3-methyl-N-[2,2,2-trichloro-1-(p-tolylsulfanyl)ethyl]butanamide CAS Name: 3-methyl-N-[2,2,2-trichloro-1-[(4-methylphenyl)thio]ethyl]butanamide IUPAC Name: 3-methyl-N-[2,2,2-trichloro-1-(4-methylphenyl)sulfanylethyl]butanamide Traditional Name: 3-methyl-N-[2,2,2-trichloro-1-(p-tolylthio)ethyl]butyramide Formula: C14H18Cl3NOS MolecularWeight: 354.72282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C(Cl)(Cl)Cl)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(C(Cl)(Cl)Cl)NC(=O)CC(C)C

InChI

InChI=1S/C14H18Cl3NOS/c1-9(2)8-12(19)18-13(14(15,16)17)20-11-6-4-10(3)5-7-11/h4-7,9,13H,8H2,1-3H3,(H,18,19)