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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]propionamide Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O3S/c1-19-7-9-20(10-8-19)23-16-25(21-5-3-2-4-6-21)32-29(24(23)17-30)36-14-13-28(33)31-22-11-12-26-27(15-22)35-18-34-26/h2-12,15-16H,13-14,18H2,1H3,(H,31,33)