N-(1,3-benzodioxol-5-ylmethyl)-2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridyl]thio]-N-piperonyl-acetamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H19N3O4S/c1-28-18-4-2-3-16(10-18)19-7-6-17(11-24)23(26-19)31-13-22(27)25-12-15-5-8-20-21(9-15)30-14-29-20/h2-10H,12-14H2,1H3,(H,25,27)