S-(5-nitro-1-pyrazin-2-ylcarbonyl-benzimidazol-2-yl) pyrazine-2-carbothioate

Systemtic Name: S-(5-nitro-1-pyrazin-2-ylcarbonyl-benzimidazol-2-yl) pyrazine-2-carbothioate Openeye Name: S-[5-nitro-1-(pyrazine-2-carbonyl)benzimidazol-2-yl] pyrazine-2-carbothioate CAS Name: 2-pyrazinecarbothioic acid S-[5-nitro-1-[oxo(2-pyrazinyl)methyl]-2-benzimidazolyl] ester IUPAC Name: S-[5-nitro-1-(pyrazine-2-carbonyl)benzimidazol-2-yl] pyrazine-2-carbothioate Traditional Name: pyrazine-2-carbothioic acid S-(5-nitro-1-pyrazinoyl-benzimidazol-2-yl) ester Formula: C17H9N7O4S MolecularWeight: 407.36286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=C(N2C(=O)C3=NC=CN=C3)SC(=O)C4=NC=CN=C4

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C(N2C(=O)C3=NC=CN=C3)SC(=O)C4=NC=CN=C4

InChI

InChI=1S/C17H9N7O4S/c25-15(12-8-18-3-5-20-12)23-14-2-1-10(24(27)28)7-11(14)22-17(23)29-16(26)13-9-19-4-6-21-13/h1-9H