(3-cyanophenyl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (3-cyanophenyl)methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (3-cyanobenzyl) ester Formula: C17H14BrNO2S MolecularWeight: 376.26756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H14BrNO2S/c1-12-7-15(18)5-6-16(12)22-11-17(20)21-10-14-4-2-3-13(8-14)9-19/h2-8H,10-11H2,1H3