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

Systemtic Name: 1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C22H27N3OS/c1-2-25-20(18-6-4-3-5-7-18)23-24-21(25)27-14-19(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,2,8-14H2,1H3