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

Systemtic Name: N-(1-adamantyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CS6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CS6

InChI

InChI=1S/C21H26N4OS2/c26-18(22-21-9-13-6-14(10-21)8-15(7-13)11-21)12-28-20-24-23-19(17-2-1-5-27-17)25(20)16-3-4-16/h1-2,5,13-16H,3-4,6-12H2,(H,22,26)