2-azanyl-5-chloranyl-6-octylsulfanyl-1H-pyrazine-2-carboxylate

Systemtic Name: 2-azanyl-5-chloranyl-6-octylsulfanyl-1H-pyrazine-2-carboxylate Openeye Name: 2-amino-5-chloro-6-octylsulfanyl-1H-pyrazine-2-carboxylate CAS Name: 2-amino-5-chloro-6-(octylthio)-1H-pyrazine-2-carboxylate IUPAC Name: 2-amino-5-chloro-6-octylsulfanyl-1H-pyrazine-2-carboxylate Traditional Name: 2-amino-5-chloro-6-(octylthio)-1H-pyrazine-2-carboxylate Formula: C13H21ClN3O2S- MolecularWeight: 318.84274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(N=CC(N1)(C(=O)[O-])N)Cl

Isomeric SMILES

CCCCCCCCSC1=C(N=CC(N1)(C(=O)[O-])N)Cl

InChI

InChI=1S/C13H22ClN3O2S/c1-2-3-4-5-6-7-8-20-11-10(14)16-9-13(15,17-11)12(18)19/h9,17H,2-8,15H2,1H3,(H,18,19)/p-1