6-butylsulfanyl-5-(2-methylpropyl)pyrazine-2-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=CN=C1CC(C)C)C(=S)N

Isomeric SMILES

CCCCSC1=NC(=CN=C1CC(C)C)C(=S)N

InChI

InChI=1S/C13H21N3S2/c1-4-5-6-18-13-10(7-9(2)3)15-8-11(16-13)12(14)17/h8-9H,4-7H2,1-3H3,(H2,14,17)