2-heptylsulfanylpyridine-4-carbothioamide

Systemtic Name: 2-heptylsulfanylpyridine-4-carbothioamide Openeye Name: 2-heptylsulfanylpyridine-4-carbothioamide CAS Name: 2-(heptylthio)-4-pyridinecarbothioamide IUPAC Name: 2-heptylsulfanylpyridine-4-carbothioamide Traditional Name: 2-(heptylthio)thioisonicotinamide Formula: C13H20N2S2 MolecularWeight: 268.4413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2S2/c1-2-3-4-5-6-9-17-12-10-11(13(14)16)7-8-15-12/h7-8,10H,2-6,9H2,1H3,(H2,14,16)