2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-[(4-phenyl-1-phthalazinyl)thio]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-[(4-phenylphthalazin-1-yl)thio]-N-(3,4,5-trimethoxybenzyl)acetamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4S/c1-31-21-13-17(14-22(32-2)25(21)33-3)15-27-23(30)16-34-26-20-12-8-7-11-19(20)24(28-29-26)18-9-5-4-6-10-18/h4-14H,15-16H2,1-3H3,(H,27,30)