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

Systemtic Name: N-(2-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-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)NC2C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)OC

InChI

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