S-(4-cyanophenyl) 4-heptylbenzenecarbothioate

Systemtic Name: S-(4-cyanophenyl) 4-heptylbenzenecarbothioate Openeye Name: S-(4-cyanophenyl) 4-heptylbenzenecarbothioate CAS Name: 4-heptylbenzenecarbothioic acid S-(4-cyanophenyl) ester IUPAC Name: S-(4-cyanophenyl) 4-heptylbenzenecarbothioate Traditional Name: 4-heptylthiobenzoic acid S-(4-cyanophenyl) ester Formula: C21H23NOS MolecularWeight: 337.47842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23NOS/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3