N-(1,3-benzoxazol-2-yl)-2-[3-cyano-6-(3-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzoxazol-2-yl)-2-[3-cyano-6-(3-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzoxazol-2-yl)-2-[[3-cyano-6-(3-methoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzoxazol-2-yl)-2-[[3-cyano-6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzoxazol-2-yl)-2-[3-cyano-6-(3-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzoxazol-2-yl)-2-[[3-cyano-6-(3-methoxyphenyl)-4-phenyl-2-pyridyl]thio]acetamide Formula: C28H20N4O3S MolecularWeight: 492.5484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=NC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C28H20N4O3S/c1-34-20-11-7-10-19(14-20)24-15-21(18-8-3-2-4-9-18)22(16-29)27(30-24)36-17-26(33)32-28-31-23-12-5-6-13-25(23)35-28/h2-15H,17H2,1H3,(H,31,32,33)