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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=C(N=C1Cl)C(=S)N

Isomeric SMILES

CC(C)(C)C1=NC=C(N=C1Cl)C(=S)N

InChI

InChI=1S/C9H12ClN3S/c1-9(2,3)6-7(10)13-5(4-12-6)8(11)14/h4H,1-3H3,(H2,11,14)