N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(4,5-dimethoxy-2-methyl-benzyl)-N-methyl-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H27N3O3S/c1-18-14-23(32-3)24(33-4)15-20(18)16-30(2)25(31)17-34-27-22-13-9-8-12-21(22)26(28-29-27)19-10-6-5-7-11-19/h5-15H,16-17H2,1-4H3