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

Systemtic Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H28N4OS2 MolecularWeight: 416.60322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)CC5=CC=CS5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)CC5=CC=CS5

InChI

InChI=1S/C21H28N4OS2/c1-25-18(8-17-3-2-4-27-17)23-24-20(25)28-12-19(26)22-13-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,14-16H,5-13H2,1H3,(H,22,26)