N-[2-[5-oxidanylidene-3-(phenylmethylsulfanyl)-2H-1,2,4-triazin-6-yl]phenyl]ethanamide

Systemtic Name: N-[2-[5-oxidanylidene-3-(phenylmethylsulfanyl)-2H-1,2,4-triazin-6-yl]phenyl]ethanamide Openeye Name: N-[2-(3-benzylsulfanyl-5-oxo-2H-1,2,4-triazin-6-yl)phenyl]acetamide CAS Name: N-[2-[5-oxo-3-(phenylmethylthio)-2H-1,2,4-triazin-6-yl]phenyl]acetamide IUPAC Name: N-[2-(3-benzylsulfanyl-5-oxo-2H-1,2,4-triazin-6-yl)phenyl]acetamide Traditional Name: N-[2-[3-(benzylthio)-5-keto-2H-1,2,4-triazin-6-yl]phenyl]acetamide Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C2=NNC(=NC2=O)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C2=NNC(=NC2=O)SCC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O2S/c1-12(23)19-15-10-6-5-9-14(15)16-17(24)20-18(22-21-16)25-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,23)(H,20,22,24)