6-(4-methylphenyl)-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

Systemtic Name: 6-(4-methylphenyl)-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Openeye Name: 3-phenacylsulfanyl-6-(p-tolyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one CAS Name: 6-(4-methylphenyl)-3-(phenacylthio)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one IUPAC Name: 6-(4-methylphenyl)-3-phenacylsulfanyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Traditional Name: 3-(phenacylthio)-6-(p-tolyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN3C(=NC2=O)NN=C3SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN3C(=NC2=O)NN=C3SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H15N5O2S/c1-12-7-9-14(10-8-12)16-17(26)20-18-21-22-19(24(18)23-16)27-11-15(25)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21,26)