3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Openeye Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Traditional Name: 3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Formula: C18H12ClN5O2S MolecularWeight: 397.83818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN5O2S/c19-13-8-6-11(7-9-13)14(25)10-27-18-22-21-17-20-16(26)15(23-24(17)18)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21,26)