5-(4-chlorophenyl)carbonylpyrazine-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)carbonylpyrazine-2-carbothioamide Openeye Name: 5-(4-chlorobenzoyl)pyrazine-2-carbothioamide CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-2-pyrazinecarbothioamide IUPAC Name: 5-(4-chlorobenzoyl)pyrazine-2-carbothioamide Traditional Name: 5-(4-chlorobenzoyl)thiopyrazinamide Formula: C12H8ClN3OS MolecularWeight: 277.72942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CN=C(C=N2)C(=S)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CN=C(C=N2)C(=S)N)Cl

InChI

InChI=1S/C12H8ClN3OS/c13-8-3-1-7(2-4-8)11(17)9-5-16-10(6-15-9)12(14)18/h1-6H,(H2,14,18)