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

Systemtic Name: 2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-phenyl-1,2,4-triazin-3-yl)thio]acetic acid IUPAC Name: 2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-phenyl-1,2,4-triazin-3-yl)thio]acetic acid Formula: C11H9N3O2S MolecularWeight: 247.27306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=NC(=N2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=NC(=N2)SCC(=O)O

InChI

InChI=1S/C11H9N3O2S/c15-10(16)7-17-11-13-9(6-12-14-11)8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16)