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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridinyl]thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-(2,6-dimethylphenyl)acetamide Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C29H23N3O3S/c1-18-7-6-8-19(2)28(18)32-27(33)16-36-29-23(15-30)22(14-24(31-29)20-9-4-3-5-10-20)21-11-12-25-26(13-21)35-17-34-25/h3-14H,16-17H2,1-2H3,(H,32,33)