2-heptylsulfanyl-5-isothiocyanato-pyridine

Systemtic Name: 2-heptylsulfanyl-5-isothiocyanato-pyridine Openeye Name: 2-heptylsulfanyl-5-isothiocyanato-pyridine CAS Name: 2-(heptylthio)-5-isothiocyanatopyridine IUPAC Name: 2-heptylsulfanyl-5-isothiocyanatopyridine Traditional Name: 2-(heptylthio)-5-isothiocyanato-pyridine Formula: C13H18N2S2 MolecularWeight: 266.42542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2S2/c1-2-3-4-5-6-9-17-13-8-7-12(10-14-13)15-11-16/h7-8,10H,2-6,9H2,1H3