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

Systemtic Name: N-[[4-(5-tert-butyl-1,2,3-triazol-1-yl)phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-(5-tert-butyltriazol-1-yl)phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(5-tert-butyl-1-triazolyl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(5-tert-butyltriazol-1-yl)phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-(5-tert-butyltriazol-1-yl)phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C24H31N5OS MolecularWeight: 437.60084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N5OS/c1-23(2,3)20-14-25-28-29(20)19-6-4-18(5-7-19)26-22(31)27-21(30)24-11-15-8-16(12-24)10-17(9-15)13-24/h4-7,14-17H,8-13H2,1-3H3,(H2,26,27,30,31)