2-chloranyl-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate

Systemtic Name: 2-chloranyl-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Openeye Name: 2-chloro-5-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate CAS Name: 2-chloro-5-[3-(2-pyrazinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Traditional Name: 2-chloro-5-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate Formula: C13H7ClN5O2S- MolecularWeight: 332.74498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=NNC2=S)C3=NC=CN=C3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1N2C(=NNC2=S)C3=NC=CN=C3)C(=O)[O-])Cl

InChI

InChI=1S/C13H8ClN5O2S/c14-9-2-1-7(5-8(9)12(20)21)19-11(17-18-13(19)22)10-6-15-3-4-16-10/h1-6H,(H,18,22)(H,20,21)/p-1