N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-triazole-4-carboxamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-4-triazolecarboxamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-phenyltriazole-4-carboxamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-triazole-4-carboxamide Formula: C21H22N6OS MolecularWeight: 406.50398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5=CN(N=N5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5=CN(N=N5)C6=CC=CC=C6

InChI

InChI=1S/C21H22N6OS/c28-18(17-12-27(26-23-17)16-4-2-1-3-5-16)22-20-25-24-19(29-20)21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,12-15H,6-11H2,(H,22,25,28)