2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-oxidanylidene-8-thia-5-azaspiro[3.4]octan-5-yl)ethanamide

Systemtic Name: 2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-oxidanylidene-8-thia-5-azaspiro[3.4]octan-5-yl)ethanamide Openeye Name: 2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-oxo-8-thia-5-azaspiro[3.4]octan-5-yl)acetamide CAS Name: 2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(6-oxo-8-thia-5-azaspiro[3.4]octan-5-yl)acetamide IUPAC Name: 2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-oxo-8-thia-5-azaspiro[3.4]octan-5-yl)acetamide Traditional Name: 2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(6-keto-8-thia-5-azaspiro[3.4]octan-5-yl)acetamide Formula: C26H29Cl2N5O2S2 MolecularWeight: 578.57676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C1)N(C(=O)CS2)NC(=O)CSC3=NN=C(N3C4=C(C=C(C=C4)Cl)Cl)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CC2(C1)N(C(=O)CS2)NC(=O)CSC3=NN=C(N3C4=C(C=C(C=C4)Cl)Cl)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C26H29Cl2N5O2S2/c27-18-2-3-20(19(28)9-18)32-23(25-10-15-6-16(11-25)8-17(7-15)12-25)29-30-24(32)36-13-21(34)31-33-22(35)14-37-26(33)4-1-5-26/h2-3,9,15-17H,1,4-8,10-14H2,(H,31,34)