2-hexylsulfanylpyridine-4-carbothioamide

Systemtic Name: 2-hexylsulfanylpyridine-4-carbothioamide Openeye Name: 2-hexylsulfanylpyridine-4-carbothioamide CAS Name: 2-(hexylthio)-4-pyridinecarbothioamide IUPAC Name: 2-hexylsulfanylpyridine-4-carbothioamide Traditional Name: 2-(hexylthio)thioisonicotinamide Formula: C12H18N2S2 MolecularWeight: 254.41472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2S2/c1-2-3-4-5-8-16-11-9-10(12(13)15)6-7-14-11/h6-7,9H,2-5,8H2,1H3,(H2,13,15)