2-bromanyl-6-octylsulfanyl-pyridine-4-carbothioamide

Systemtic Name: 2-bromanyl-6-octylsulfanyl-pyridine-4-carbothioamide Openeye Name: 2-bromo-6-octylsulfanyl-pyridine-4-carbothioamide CAS Name: 2-bromo-6-(octylthio)-4-pyridinecarbothioamide IUPAC Name: 2-bromo-6-octylsulfanylpyridine-4-carbothioamide Traditional Name: 2-bromo-6-(octylthio)thioisonicotinamide Formula: C14H21BrN2S2 MolecularWeight: 361.36394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=CC(=C1)C(=S)N)Br

Isomeric SMILES

CCCCCCCCSC1=NC(=CC(=C1)C(=S)N)Br

InChI

InChI=1S/C14H21BrN2S2/c1-2-3-4-5-6-7-8-19-13-10-11(14(16)18)9-12(15)17-13/h9-10H,2-8H2,1H3,(H2,16,18)