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

Systemtic Name: 1-(1-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C23H29N3O2S/c1-3-26-21(18-4-6-19(28-2)7-5-18)24-25-22(26)29-14-20(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,3,8-14H2,1-2H3