N-(2-bromanyl-4-methyl-phenyl)-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-(1-phthalazinylthio)acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(phthalazin-1-ylthio)acetamide Formula: C17H14BrN3OS MolecularWeight: 388.28156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=CC3=CC=CC=C32)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=CC3=CC=CC=C32)Br

InChI

InChI=1S/C17H14BrN3OS/c1-11-6-7-15(14(18)8-11)20-16(22)10-23-17-13-5-3-2-4-12(13)9-19-21-17/h2-9H,10H2,1H3,(H,20,22)