2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetate IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetate Formula: C17H12N3O2S- MolecularWeight: 322.36108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H13N3O2S/c21-14(22)11-23-17-18-15(12-7-3-1-4-8-12)16(19-20-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,21,22)/p-1