S-octyl 4-cyanobenzenecarbothioate

Systemtic Name: S-octyl 4-cyanobenzenecarbothioate Openeye Name: S-octyl 4-cyanobenzenecarbothioate CAS Name: 4-cyanobenzenecarbothioic acid S-octyl ester IUPAC Name: S-octyl 4-cyanobenzenecarbothioate Traditional Name: 4-cyanothiobenzoic acid S-octyl ester Formula: C16H21NOS MolecularWeight: 275.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCCCCCSC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C16H21NOS/c1-2-3-4-5-6-7-12-19-16(18)15-10-8-14(13-17)9-11-15/h8-11H,2-7,12H2,1H3