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

Systemtic Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C28H37N3O3S MolecularWeight: 495.67668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C28H37N3O3S/c1-33-23-9-8-21(13-24(23)34-2)26-29-30-27(31(26)22-6-4-3-5-7-22)35-17-25(32)28-14-18-10-19(15-28)12-20(11-18)16-28/h8-9,13,18-20,22H,3-7,10-12,14-17H2,1-2H3