5-butyl-6-ethylsulfanyl-pyrazine-2-carbothioamide

Systemtic Name: 5-butyl-6-ethylsulfanyl-pyrazine-2-carbothioamide Openeye Name: 5-butyl-6-ethylsulfanyl-pyrazine-2-carbothioamide CAS Name: 5-butyl-6-(ethylthio)-2-pyrazinecarbothioamide IUPAC Name: 5-butyl-6-ethylsulfanylpyrazine-2-carbothioamide Traditional Name: 5-butyl-6-(ethylthio)thiopyrazinamide Formula: C11H17N3S2 MolecularWeight: 255.40278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N=C1SCC)C(=S)N

Isomeric SMILES

CCCCC1=NC=C(N=C1SCC)C(=S)N

InChI

InChI=1S/C11H17N3S2/c1-3-5-6-8-11(16-4-2)14-9(7-13-8)10(12)15/h7H,3-6H2,1-2H3,(H2,12,15)