N-cyclooctyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzamide

Systemtic Name: N-cyclooctyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzamide Openeye Name: N-cyclooctyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzamide CAS Name: N-cyclooctyl-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]benzamide IUPAC Name: N-cyclooctyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzamide Traditional Name: N-cyclooctyl-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]benzamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C4N3C=CC=C4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C4N3C=CC=C4

InChI

InChI=1S/C22H26N4OS/c27-21(23-19-8-4-2-1-3-5-9-19)18-13-11-17(12-14-18)16-28-22-25-24-20-10-6-7-15-26(20)22/h6-7,10-15,19H,1-5,8-9,16H2,(H,23,27)