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

Systemtic Name: N-(1-adamantyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4OS/c1-2-14-3-5-18(6-4-14)20-23-21(26-25-20)28-13-19(27)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,2,7-13H2,1H3,(H,24,27)(H,23,25,26)