(phenylmethyl) 2-[3-(4-bromophenyl)sulfanylpropyl]naphthalene-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[3-(4-bromophenyl)sulfanylpropyl]naphthalene-1-carboxylate Openeye Name: benzyl 2-[3-(4-bromophenyl)sulfanylpropyl]naphthalene-1-carboxylate CAS Name: 2-[3-[(4-bromophenyl)thio]propyl]-1-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(4-bromophenyl)sulfanylpropyl]naphthalene-1-carboxylate Traditional Name: 2-[3-[(4-bromophenyl)thio]propyl]naphthalene-1-carboxylic acid benzyl ester Formula: C27H23BrO2S MolecularWeight: 491.43932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C=CC3=CC=CC=C32)CCCSC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C=CC3=CC=CC=C32)CCCSC4=CC=C(C=C4)Br

InChI

InChI=1S/C27H23BrO2S/c28-23-14-16-24(17-15-23)31-18-6-10-22-13-12-21-9-4-5-11-25(21)26(22)27(29)30-19-20-7-2-1-3-8-20/h1-5,7-9,11-17H,6,10,18-19H2