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

Systemtic Name: N-(1-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C23H30N4O2S/c1-3-27-21(18-4-6-19(29-2)7-5-18)25-26-22(27)30-14-20(28)24-23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,3,8-14H2,1-2H3,(H,24,28)