(4-cyanophenyl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (4-cyanophenyl)methyl 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (4-cyanobenzyl) ester Formula: C18H16BrNO2S MolecularWeight: 390.29414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H16BrNO2S/c1-12-8-17(13(2)7-16(12)19)23-11-18(21)22-10-15-5-3-14(9-20)4-6-15/h3-8H,10-11H2,1-2H3