2-chloranyl-6-hexylsulfanyl-pyridine-4-carbothioamide

Systemtic Name: 2-chloranyl-6-hexylsulfanyl-pyridine-4-carbothioamide Openeye Name: 2-chloro-6-hexylsulfanyl-pyridine-4-carbothioamide CAS Name: 2-chloro-6-(hexylthio)-4-pyridinecarbothioamide IUPAC Name: 2-chloro-6-hexylsulfanylpyridine-4-carbothioamide Traditional Name: 2-chloro-6-(hexylthio)thioisonicotinamide Formula: C12H17ClN2S2 MolecularWeight: 288.85978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=CC(=C1)C(=S)N)Cl

Isomeric SMILES

CCCCCCSC1=NC(=CC(=C1)C(=S)N)Cl

InChI

InChI=1S/C12H17ClN2S2/c1-2-3-4-5-6-17-11-8-9(12(14)16)7-10(13)15-11/h7-8H,2-6H2,1H3,(H2,14,16)