3-azanyl-6-chloranyl-5-octylsulfanyl-pyrazine-2-carbonitrile

Systemtic Name: 3-azanyl-6-chloranyl-5-octylsulfanyl-pyrazine-2-carbonitrile Openeye Name: 3-amino-6-chloro-5-octylsulfanyl-pyrazine-2-carbonitrile CAS Name: 3-amino-6-chloro-5-(octylthio)-2-pyrazinecarbonitrile IUPAC Name: 3-amino-6-chloro-5-octylsulfanylpyrazine-2-carbonitrile Traditional Name: 3-amino-6-chloro-5-(octylthio)pyrazinonitrile Formula: C13H19ClN4S MolecularWeight: 298.83476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=C(N=C1Cl)C#N)N

Isomeric SMILES

CCCCCCCCSC1=NC(=C(N=C1Cl)C#N)N

InChI

InChI=1S/C13H19ClN4S/c1-2-3-4-5-6-7-8-19-13-11(14)17-10(9-15)12(16)18-13/h2-8H2,1H3,(H2,16,18)