5-isothiocyanato-2-(2-methylhexan-2-ylsulfanyl)pyridine

Systemtic Name: 5-isothiocyanato-2-(2-methylhexan-2-ylsulfanyl)pyridine Openeye Name: 2-(1,1-dimethylpentylsulfanyl)-5-isothiocyanato-pyridine CAS Name: 5-isothiocyanato-2-(2-methylhexan-2-ylthio)pyridine IUPAC Name: 5-isothiocyanato-2-(2-methylhexan-2-ylsulfanyl)pyridine Traditional Name: 2-(1,1-dimethylpentylthio)-5-isothiocyanato-pyridine Formula: C13H18N2S2 MolecularWeight: 266.42542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)SC1=NC=C(C=C1)N=C=S

Isomeric SMILES

CCCCC(C)(C)SC1=NC=C(C=C1)N=C=S

InChI

InChI=1S/C13H18N2S2/c1-4-5-8-13(2,3)17-12-7-6-11(9-14-12)15-10-16/h6-7,9H,4-5,8H2,1-3H3