2-(1-adamantyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)acetamide CAS Name: 2-(1-adamantyl)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-(1-adamantyl)-N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)acetamide Traditional Name: 2-(1-adamantyl)-N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)CC23CC4CC(C2)CC(C4)C3)SCC5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(N1NC(=O)CC23CC4CC(C2)CC(C4)C3)SCC5=CC=CC=C5

InChI

InChI=1S/C22H28N4OS/c1-15-23-24-21(28-14-16-5-3-2-4-6-16)26(15)25-20(27)13-22-10-17-7-18(11-22)9-19(8-17)12-22/h2-6,17-19H,7-14H2,1H3,(H,25,27)