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

Systemtic Name: 3-azanyl-6-chloranyl-5-octylsulfanyl-pyrazine-2-carbaldehyde Openeye Name: 3-amino-6-chloro-5-octylsulfanyl-pyrazine-2-carbaldehyde CAS Name: 3-amino-6-chloro-5-(octylthio)-2-pyrazinecarboxaldehyde IUPAC Name: 3-amino-6-chloro-5-octylsulfanylpyrazine-2-carbaldehyde Traditional Name: 3-amino-6-chloro-5-(octylthio)pyrazinaldehyde Formula: C13H20ClN3OS MolecularWeight: 301.8354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClN3OS/c1-2-3-4-5-6-7-8-19-13-11(14)16-10(9-18)12(15)17-13/h9H,2-8H2,1H3,(H2,15,17)