2-[[6-(4-chlorophenyl)-7-oxidanylidene-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[6-(4-chlorophenyl)-7-oxidanylidene-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[6-(4-chlorophenyl)-7-oxo-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[6-(4-chlorophenyl)-7-oxo-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[6-(4-chlorophenyl)-7-oxo-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[6-(4-chlorophenyl)-7-keto-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]thio]-N-cyclohexyl-acetamide Formula: C18H19ClN6O2S MolecularWeight: 418.90046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NNC3=NC(=O)C(=NN32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NNC3=NC(=O)C(=NN32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H19ClN6O2S/c19-12-8-6-11(7-9-12)15-16(27)21-17-22-23-18(25(17)24-15)28-10-14(26)20-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,20,26)(H,21,22,27)