3-chloranyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]adamantane-1-carboxamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=CC=CC(=C4)N5C=CNC5=S

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=CC=CC(=C4)N5C=CNC5=S

InChI

InChI=1S/C20H22ClN3OS/c21-20-10-13-6-14(11-20)9-19(8-13,12-20)17(25)23-15-2-1-3-16(7-15)24-5-4-22-18(24)26/h1-5,7,13-14H,6,8-12H2,(H,22,26)(H,23,25)