2-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoic acid

Systemtic Name: 2-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoic acid Openeye Name: 2-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)acetic acid CAS Name: 2-[3-(2-pyrazinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid Traditional Name: 2-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)acetic acid Formula: C8H7N5O2S MolecularWeight: 237.23848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=N1)C2=NNC(=S)N2CC(=O)O

Isomeric SMILES

C1=CN=C(C=N1)C2=NNC(=S)N2CC(=O)O

InChI

InChI=1S/C8H7N5O2S/c14-6(15)4-13-7(11-12-8(13)16)5-3-9-1-2-10-5/h1-3H,4H2,(H,12,16)(H,14,15)