N-(1-adamantyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3OS/c1-15-3-4-20(16(2)7-15)26-6-5-24-22(26)28-14-21(27)25-23-11-17-8-18(12-23)10-19(9-17)13-23/h3-7,17-19H,8-14H2,1-2H3,(H,25,27)