N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-veratryl-nicotinamide Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H24N2O3S/c1-15-7-8-16(2)21(12-15)29-23-18(6-5-11-24-23)22(26)25-14-17-9-10-19(27-3)20(13-17)28-4/h5-13H,14H2,1-4H3,(H,25,26)