2,6-bis(octylsulfanyl)pyridine-4-carbothioamide

Systemtic Name: 2,6-bis(octylsulfanyl)pyridine-4-carbothioamide Openeye Name: 2,6-bis(octylsulfanyl)pyridine-4-carbothioamide CAS Name: 2,6-bis(octylthio)-4-pyridinecarbothioamide IUPAC Name: 2,6-bis(octylsulfanyl)pyridine-4-carbothioamide Traditional Name: 2,6-bis(octylthio)thioisonicotinamide Formula: C22H38N2S3 MolecularWeight: 426.74552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC(=CC(=N1)SCCCCCCCC)C(=S)N

Isomeric SMILES

CCCCCCCCSC1=CC(=CC(=N1)SCCCCCCCC)C(=S)N

InChI

InChI=1S/C22H38N2S3/c1-3-5-7-9-11-13-15-26-20-17-19(22(23)25)18-21(24-20)27-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3,(H2,23,25)