N-(2-bromanyl-4-methyl-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(4-phenyl-1-phthalazinyl)thio]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-phenylphthalazin-1-yl)thio]propionamide Formula: C24H20BrN3OS MolecularWeight: 478.4041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)Br

InChI

InChI=1S/C24H20BrN3OS/c1-15-12-13-21(20(25)14-15)26-23(29)16(2)30-24-19-11-7-6-10-18(19)22(27-28-24)17-8-4-3-5-9-17/h3-14,16H,1-2H3,(H,26,29)