4-(4-chloranyl-3,5-dimethyl-phenoxy)butanethioamide

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)butanethioamide Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)butanethioamide CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)butanethioamide IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)butanethioamide Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)thiobutyramide Formula: C12H16ClNOS MolecularWeight: 257.77954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCC(=S)N

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCC(=S)N

InChI

InChI=1S/C12H16ClNOS/c1-8-6-10(7-9(2)12(8)13)15-5-3-4-11(14)16/h6-7H,3-5H2,1-2H3,(H2,14,16)