5-butyl-6-chloranyl-pyrazine-2-carbothioamide

Systemtic Name: 5-butyl-6-chloranyl-pyrazine-2-carbothioamide Openeye Name: 5-butyl-6-chloro-pyrazine-2-carbothioamide CAS Name: 5-butyl-6-chloro-2-pyrazinecarbothioamide IUPAC Name: 5-butyl-6-chloropyrazine-2-carbothioamide Traditional Name: 5-butyl-6-chloro-thiopyrazinamide Formula: C9H12ClN3S MolecularWeight: 229.72968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N=C1Cl)C(=S)N

Isomeric SMILES

CCCCC1=NC=C(N=C1Cl)C(=S)N

InChI

InChI=1S/C9H12ClN3S/c1-2-3-4-6-8(10)13-7(5-12-6)9(11)14/h5H,2-4H2,1H3,(H2,11,14)