2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylideneamino)ethanamide

Systemtic Name: 2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylideneamino)ethanamide Openeye Name: 2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylideneamino)acetamide CAS Name: 2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(cyclohexylideneamino)acetamide IUPAC Name: 2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylideneamino)acetamide Traditional Name: 2-[[5-(1-adamantyl)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(cyclohexylideneamino)acetamide Formula: C26H31Cl2N5OS MolecularWeight: 532.52824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC(=O)CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)C45CC6CC(C4)CC(C6)C5)CC1

Isomeric SMILES

C1CCC(=NNC(=O)CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)C45CC6CC(C4)CC(C6)C5)CC1

InChI

InChI=1S/C26H31Cl2N5OS/c27-19-6-7-22(21(28)11-19)33-24(26-12-16-8-17(13-26)10-18(9-16)14-26)31-32-25(33)35-15-23(34)30-29-20-4-2-1-3-5-20/h6-7,11,16-18H,1-5,8-10,12-15H2,(H,30,34)