2-[[5-oxidanylidene-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)ethanamide

Systemtic Name: 2-[[5-oxidanylidene-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[[5-oxo-6-(3-pyridylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[[5-oxo-6-(3-pyridinylmethyl)-2H-1,2,4-triazin-3-yl]thio]acetamide IUPAC Name: 2-[[5-oxo-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[[5-keto-6-(3-pyridylmethyl)-2H-1,2,4-triazin-3-yl]thio]-N-(phenylcarbamoyl)acetamide Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NC(=O)C(=NN2)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NC(=O)C(=NN2)CC3=CN=CC=C3

InChI

InChI=1S/C18H16N6O3S/c25-15(21-17(27)20-13-6-2-1-3-7-13)11-28-18-22-16(26)14(23-24-18)9-12-5-4-8-19-10-12/h1-8,10H,9,11H2,(H,22,24,26)(H2,20,21,25,27)