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

Systemtic Name: N-(1-adamantyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H28N4OS2 MolecularWeight: 428.61392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=CS6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=CS6

InChI

InChI=1S/C22H28N4OS2/c27-20(23-22-10-14-6-15(11-22)8-16(7-14)12-22)13-29-21-25-24-19(26(21)17-3-4-17)9-18-2-1-5-28-18/h1-2,5,14-17H,3-4,6-13H2,(H,23,27)