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

Systemtic Name: N-(1-adamantyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H26N4OS2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CS5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CS5

InChI

InChI=1S/C20H26N4OS2/c1-24-17(8-16-3-2-4-26-16)22-23-19(24)27-12-18(25)21-20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,13-15H,5-12H2,1H3,(H,21,25)