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

Systemtic Name: 1-(1-adamantyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1N2C=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N3O2S/c1-26-18-5-3-2-4-17(18)24-13-22-23-20(24)27-12-19(25)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3