2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylethanoic acid

Systemtic Name: 2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylethanoic acid Openeye Name: 2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylacetic acid CAS Name: 2-(3-phenanthro[9,10-e][1,2,4]triazinylthio)acetic acid IUPAC Name: 2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylacetic acid Traditional Name: 2-(phenanthro[9,10-e][1,2,4]triazin-3-ylthio)acetic acid Formula: C17H11N3O2S MolecularWeight: 321.35314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)O

InChI

InChI=1S/C17H11N3O2S/c21-14(22)9-23-17-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-20-17/h1-8H,9H2,(H,21,22)