6-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-pyridine-3-carboxamide

Systemtic Name: 6-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-pyridine-3-carboxamide Openeye Name: 6-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-(2-thienyl)pyridine-3-carboxamide CAS Name: 6-[[2-(1-adamantyl)-2-oxoethyl]thio]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3-pyridinecarboxamide IUPAC Name: 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide Traditional Name: 6-[[2-(1-adamantyl)-2-keto-ethyl]thio]-5-cyano-2-methyl-N-phenyl-4-(2-thienyl)nicotinamide Formula: C30H29N3O2S2 MolecularWeight: 527.70016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C5=CC=CS5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C5=CC=CS5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C30H29N3O2S2/c1-18-26(28(35)33-22-6-3-2-4-7-22)27(24-8-5-9-36-24)23(16-31)29(32-18)37-17-25(34)30-13-19-10-20(14-30)12-21(11-19)15-30/h2-9,19-21H,10-15,17H2,1H3,(H,33,35)