N-[[4-(5-phenyl-1,2,3-triazol-1-yl)phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(5-phenyl-1,2,3-triazol-1-yl)phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-(5-phenyltriazol-1-yl)phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(5-phenyl-1-triazolyl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(5-phenyltriazol-1-yl)phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-(5-phenyltriazol-1-yl)phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)N5C(=CN=N5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)N5C(=CN=N5)C6=CC=CC=C6

InChI

InChI=1S/C26H27N5OS/c32-24(26-13-17-10-18(14-26)12-19(11-17)15-26)29-25(33)28-21-6-8-22(9-7-21)31-23(16-27-30-31)20-4-2-1-3-5-20/h1-9,16-19H,10-15H2,(H2,28,29,32,33)