S-[2-(4-methylphenyl)ethyl] benzenecarbothioate

Systemtic Name: S-[2-(4-methylphenyl)ethyl] benzenecarbothioate Openeye Name: S-[2-(p-tolyl)ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-(4-methylphenyl)ethyl] ester IUPAC Name: S-[2-(4-methylphenyl)ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(p-tolyl)ethyl] ester Formula: C16H16OS MolecularWeight: 256.36264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)CCSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16OS/c1-13-7-9-14(10-8-13)11-12-18-16(17)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3