6-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate

Systemtic Name: 6-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate Openeye Name: 6-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 6-[[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]thio]-5-oxo-2H-1,2,4-triazin-3-olate IUPAC Name: 6-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate Traditional Name: 6-[[3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl]thio]-5-keto-2H-1,2,4-triazin-3-olate Formula: C14H9N6O3S- MolecularWeight: 341.32466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)CSC3=NNC(=NC3=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)CSC3=NNC(=NC3=O)[O-]

InChI

InChI=1S/C14H10N6O3S/c15-5-7(11-16-8-3-1-2-4-9(8)17-11)10(21)6-24-13-12(22)18-14(23)20-19-13/h1-4,7H,6H2,(H,16,17)(H2,18,20,22,23)/p-1