2-[[6-(2-aminophenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(2-bromanyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[[6-(2-aminophenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(2-bromanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[[6-(2-aminophenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: 2-[[6-(2-aminophenyl)-5-oxo-2H-1,2,4-triazin-3-yl]thio]-N-(2-bromo-4-methylphenyl)acetamide IUPAC Name: 2-[[6-(2-aminophenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide Traditional Name: 2-[[6-(2-aminophenyl)-5-keto-2H-1,2,4-triazin-3-yl]thio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C18H16BrN5O2S MolecularWeight: 446.32094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3N)Br

InChI

InChI=1S/C18H16BrN5O2S/c1-10-6-7-14(12(19)8-10)21-15(25)9-27-18-22-17(26)16(23-24-18)11-4-2-3-5-13(11)20/h2-8H,9,20H2,1H3,(H,21,25)(H,22,24,26)