2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]sulfanyl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]-N-(4-methylbenzyl)acetamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=C(C=CC(=N2)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=C(C=CC(=N2)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C23H19N3O3S/c1-15-2-4-16(5-3-15)12-25-22(27)13-30-23-18(11-24)6-8-19(26-23)17-7-9-20-21(10-17)29-14-28-20/h2-10H,12-14H2,1H3,(H,25,27)