S-(4-cyanophenyl) 4-pentylbenzenecarbothioate

Systemtic Name: S-(4-cyanophenyl) 4-pentylbenzenecarbothioate Openeye Name: S-(4-cyanophenyl) 4-pentylbenzenecarbothioate CAS Name: 4-pentylbenzenecarbothioic acid S-(4-cyanophenyl) ester IUPAC Name: S-(4-cyanophenyl) 4-pentylbenzenecarbothioate Traditional Name: 4-amylthiobenzoic acid S-(4-cyanophenyl) ester Formula: C19H19NOS MolecularWeight: 309.42526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H19NOS/c1-2-3-4-5-15-6-10-17(11-7-15)19(21)22-18-12-8-16(14-20)9-13-18/h6-13H,2-5H2,1H3