N-(1-adamantyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H35N5O2S MolecularWeight: 481.6534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)N6CCCCC6

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)N6CCCCC6

InChI

InChI=1S/C26H35N5O2S/c1-33-22-8-4-3-7-21(22)31-24(30-9-5-2-6-10-30)28-29-25(31)34-17-23(32)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h3-4,7-8,18-20H,2,5-6,9-17H2,1H3,(H,27,32)