[(1S,2S,3R,4S,6S)-4-oxidanyl-4-pyridin-4-yl-3-pyridin-4-ylcarbonyl-2,6-dithiophen-2-yl-cyclohexyl]-pyridin-4-yl-methanone

Systemtic Name: [(1S,2S,3R,4S,6S)-4-oxidanyl-4-pyridin-4-yl-3-pyridin-4-ylcarbonyl-2,6-dithiophen-2-yl-cyclohexyl]-pyridin-4-yl-methanone Openeye Name: [(1S,2S,3R,4S,6S)-4-hydroxy-3-(pyridine-4-carbonyl)-4-(4-pyridyl)-2,6-bis(2-thienyl)cyclohexyl]-(4-pyridyl)methanone CAS Name: [(1S,2S,3R,4S,6S)-4-hydroxy-3-[oxo(pyridin-4-yl)methyl]-4-pyridin-4-yl-2,6-dithiophen-2-ylcyclohexyl]-pyridin-4-ylmethanone IUPAC Name: [(1S,2S,3R,4S,6S)-4-hydroxy-3-(pyridine-4-carbonyl)-4-pyridin-4-yl-2,6-dithiophen-2-ylcyclohexyl]-pyridin-4-ylmethanone Traditional Name: [(1S,2S,3R,4S,6S)-4-hydroxy-3-isonicotinoyl-4-(4-pyridyl)-2,6-bis(2-thienyl)cyclohexyl]-(4-pyridyl)methanone Formula: C31H25N3O3S2 MolecularWeight: 551.6785

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1(C2=CC=NC=C2)O)C(=O)C3=CC=NC=C3)C4=CC=CS4)C(=O)C5=CC=NC=C5)C6=CC=CS6

Isomeric SMILES

C1[C@@H]([C@@H]([C@@H]([C@H]([C@@]1(C2=CC=NC=C2)O)C(=O)C3=CC=NC=C3)C4=CC=CS4)C(=O)C5=CC=NC=C5)C6=CC=CS6

InChI

InChI=1S/C31H25N3O3S2/c35-29(20-5-11-32-12-6-20)26-23(24-3-1-17-38-24)19-31(37,22-9-15-34-16-10-22)28(27(26)25-4-2-18-39-25)30(36)21-7-13-33-14-8-21/h1-18,23,26-28,37H,19H2/t23-,26+,27+,28+,31-/m1/s1