2-bromanyl-6-heptylsulfanyl-pyridine-4-carbothioamide

Systemtic Name: 2-bromanyl-6-heptylsulfanyl-pyridine-4-carbothioamide Openeye Name: 2-bromo-6-heptylsulfanyl-pyridine-4-carbothioamide CAS Name: 2-bromo-6-(heptylthio)-4-pyridinecarbothioamide IUPAC Name: 2-bromo-6-heptylsulfanylpyridine-4-carbothioamide Traditional Name: 2-bromo-6-(heptylthio)thioisonicotinamide Formula: C13H19BrN2S2 MolecularWeight: 347.33736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC(=CC(=C1)C(=S)N)Br

Isomeric SMILES

CCCCCCCSC1=NC(=CC(=C1)C(=S)N)Br

InChI

InChI=1S/C13H19BrN2S2/c1-2-3-4-5-6-7-18-12-9-10(13(15)17)8-11(14)16-12/h8-9H,2-7H2,1H3,(H2,15,17)