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

Systemtic Name: N-(1-adamantyl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N4OS/c1-14-2-4-18(5-3-14)25-13-22-24-20(25)27-12-19(26)23-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,13,15-17H,6-12H2,1H3,(H,23,26)