N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(1-adamantyl)-N-m-anisyl-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C(=O)CSC2=NC=NN2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)CN(C(=O)CSC2=NC=NN2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4O2S/c1-28-19-4-2-3-15(8-19)12-26(20(27)13-29-21-23-14-24-25-21)22-9-16-5-17(10-22)7-18(6-16)11-22/h2-4,8,14,16-18H,5-7,9-13H2,1H3,(H,23,24,25)