2-[(6-phenyl-1,2,4,5-tetrazin-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(6-phenyl-1,2,4,5-tetrazin-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(6-phenyl-1,2,4,5-tetrazin-3-yl)sulfanyl]acetic acid CAS Name: 2-[(6-phenyl-1,2,4,5-tetrazin-3-yl)thio]acetic acid IUPAC Name: 2-[(6-phenyl-1,2,4,5-tetrazin-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(6-phenyl-1,2,4,5-tetrazin-3-yl)thio]acetic acid Formula: C10H8N4O2S MolecularWeight: 248.26112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N=N2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N=N2)SCC(=O)O

InChI

InChI=1S/C10H8N4O2S/c15-8(16)6-17-10-13-11-9(12-14-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)