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

Systemtic Name: 1-(1-adamantyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C22H27N3O2S/c1-25-20(17-3-5-18(27-2)6-4-17)23-24-21(25)28-13-19(26)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,7-13H2,1-2H3