3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[(2-oxo-2-thiophen-2-ylethyl)thio]-6-(3-pyridinylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[[2-keto-2-(2-thienyl)ethyl]thio]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one Formula: C15H12N4O2S2 MolecularWeight: 344.41138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=NNC(=NC2=O)SCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CN=C1)CC2=NNC(=NC2=O)SCC(=O)C3=CC=CS3

InChI

InChI=1S/C15H12N4O2S2/c20-12(13-4-2-6-22-13)9-23-15-17-14(21)11(18-19-15)7-10-3-1-5-16-8-10/h1-6,8H,7,9H2,(H,17,19,21)