2-(1-adamantyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]acetamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC(=C4)N5C=CNC5=S

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC(=C4)N5C=CNC5=S

InChI

InChI=1S/C21H25N3OS/c25-19(13-21-10-14-6-15(11-21)8-16(7-14)12-21)23-17-2-1-3-18(9-17)24-5-4-22-20(24)26/h1-5,9,14-16H,6-8,10-13H2,(H,22,26)(H,23,25)