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

Systemtic Name: N-[[4-[5-(furan-2-yl)-1,2,3-triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-[5-(2-furyl)triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-[5-(2-furanyl)-1-triazolyl]anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[5-(furan-2-yl)triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-[5-(2-furyl)triazol-1-yl]phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C24H25N5O2S MolecularWeight: 447.5526

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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=CO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)N5C(=CN=N5)C6=CC=CO6

InChI

InChI=1S/C24H25N5O2S/c30-22(24-11-15-8-16(12-24)10-17(9-15)13-24)27-23(32)26-18-3-5-19(6-4-18)29-20(14-25-28-29)21-2-1-7-31-21/h1-7,14-17H,8-13H2,(H2,26,27,30,32)