N-(1-adamantylmethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

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