2-octylsulfanylpyridine-4-carbothioamide

Systemtic Name: 2-octylsulfanylpyridine-4-carbothioamide Openeye Name: 2-octylsulfanylpyridine-4-carbothioamide CAS Name: 2-(octylthio)-4-pyridinecarbothioamide IUPAC Name: 2-octylsulfanylpyridine-4-carbothioamide Traditional Name: 2-(octylthio)thioisonicotinamide Formula: C14H22N2S2 MolecularWeight: 282.46788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2S2/c1-2-3-4-5-6-7-10-18-13-11-12(14(15)17)8-9-16-13/h8-9,11H,2-7,10H2,1H3,(H2,15,17)