5-tert-butyl-6-butylsulfanyl-pyrazine-2-carbothioamide

Systemtic Name: 5-tert-butyl-6-butylsulfanyl-pyrazine-2-carbothioamide Openeye Name: 5-tert-butyl-6-butylsulfanyl-pyrazine-2-carbothioamide CAS Name: 5-tert-butyl-6-(butylthio)-2-pyrazinecarbothioamide IUPAC Name: 5-tert-butyl-6-butylsulfanylpyrazine-2-carbothioamide Traditional Name: 5-tert-butyl-6-(butylthio)thiopyrazinamide Formula: C13H21N3S2 MolecularWeight: 283.45594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=CN=C1C(C)(C)C)C(=S)N

Isomeric SMILES

CCCCSC1=NC(=CN=C1C(C)(C)C)C(=S)N

InChI

InChI=1S/C13H21N3S2/c1-5-6-7-18-12-10(13(2,3)4)15-8-9(16-12)11(14)17/h8H,5-7H2,1-4H3,(H2,14,17)