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

Systemtic Name: 5-(2-methylpropyl)-6-propylsulfanyl-pyrazine-2-carbothioamide Openeye Name: 5-isobutyl-6-propylsulfanyl-pyrazine-2-carbothioamide CAS Name: 5-(2-methylpropyl)-6-(propylthio)-2-pyrazinecarbothioamide IUPAC Name: 5-(2-methylpropyl)-6-propylsulfanylpyrazine-2-carbothioamide Traditional Name: 5-isobutyl-6-(propylthio)thiopyrazinamide Formula: C12H19N3S2 MolecularWeight: 269.42936

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=CN=C1CC(C)C)C(=S)N

Isomeric SMILES

CCCSC1=NC(=CN=C1CC(C)C)C(=S)N

InChI

InChI=1S/C12H19N3S2/c1-4-5-17-12-9(6-8(2)3)14-7-10(15-12)11(13)16/h7-8H,4-6H2,1-3H3,(H2,13,16)