2-[6-(2-oxidanylidene-2-pyridin-3-yl-ethyl)-3-sulfanylidene-2H-1,2,4-triazin-5-yl]-1-pyridin-3-yl-ethanone

Systemtic Name: 2-[6-(2-oxidanylidene-2-pyridin-3-yl-ethyl)-3-sulfanylidene-2H-1,2,4-triazin-5-yl]-1-pyridin-3-yl-ethanone Openeye Name: 2-[6-[2-oxo-2-(3-pyridyl)ethyl]-3-thioxo-2H-1,2,4-triazin-5-yl]-1-(3-pyridyl)ethanone CAS Name: 2-[6-[2-oxo-2-(3-pyridinyl)ethyl]-3-sulfanylidene-2H-1,2,4-triazin-5-yl]-1-(3-pyridinyl)ethanone IUPAC Name: 2-[6-(2-oxo-2-pyridin-3-ylethyl)-3-sulfanylidene-2H-1,2,4-triazin-5-yl]-1-pyridin-3-ylethanone Traditional Name: 2-[6-[2-keto-2-(3-pyridyl)ethyl]-3-thioxo-2H-1,2,4-triazin-5-yl]-1-(3-pyridyl)ethanone Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)CC2=NC(=S)NN=C2CC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CN=C1)C(=O)CC2=NC(=S)NN=C2CC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H13N5O2S/c23-15(11-3-1-5-18-9-11)7-13-14(21-22-17(25)20-13)8-16(24)12-4-2-6-19-10-12/h1-6,9-10H,7-8H2,(H,20,22,25)