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

Systemtic Name: 1-(1-adamantyl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C24H31N3O2S/c1-15(2)27-22(19-4-6-20(29-3)7-5-19)25-26-23(27)30-14-21(28)24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,15-18H,8-14H2,1-3H3