N-(1-adamantyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H28N4OS2 MolecularWeight: 416.60322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CS5

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CS5

InChI

InChI=1S/C21H28N4OS2/c1-3-25-18(17-5-4-6-27-17)23-24-20(25)28-13(2)19(26)22-21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,13-16H,3,7-12H2,1-2H3,(H,22,26)