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

Systemtic Name: N-(1-adamantyl)-2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)N

InChI

InChI=1S/C21H27N5OS/c1-26-19(16-2-4-17(22)5-3-16)24-25-20(26)28-12-18(27)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12,22H2,1H3,(H,23,27)