O-(4-methylpentyl) [2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-(4-methylpentyl) [2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isohexyl [2-(4-bromophenyl)-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-(4-bromophenyl)-2-oxoethyl]thio]methanethioic acid O-(4-methylpentyl) ester IUPAC Name: O-(4-methylpentyl) [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-(4-bromophenyl)-2-keto-ethyl]thio]methanethioic acid O-isohexyl ester Formula: C15H19BrO2S2 MolecularWeight: 375.34416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=S)SCC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)CCCOC(=S)SCC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C15H19BrO2S2/c1-11(2)4-3-9-18-15(19)20-10-14(17)12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3