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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H28N4OS/c1-13-4-3-5-16(6-13)21-24-25-22(26(21)2)28-12-19(27)23-20-17-8-14-7-15(10-17)11-18(20)9-14/h3-6,14-15,17-18,20H,7-12H2,1-2H3,(H,23,27)