N-(4-chloranyl-3-nitro-phenyl)-2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]thio]acetamide Formula: C28H21ClN4O5S MolecularWeight: 561.00814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H21ClN4O5S/c1-37-20-8-3-17(4-9-20)22-14-25(18-5-10-21(38-2)11-6-18)32-28(23(22)15-30)39-16-27(34)31-19-7-12-24(29)26(13-19)33(35)36/h3-14H,16H2,1-2H3,(H,31,34)