5-[4-(1-adamantyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-4-methyl-1,2,3-thiadiazole

Systemtic Name: 5-[4-(1-adamantyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-4-methyl-1,2,3-thiadiazole Openeye Name: 5-[4-(1-adamantyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-4-methyl-thiadiazole CAS Name: 5-[4-(1-adamantyl)-5-(methylthio)-1,2,4-triazol-3-yl]-4-methylthiadiazole IUPAC Name: 5-[4-(1-adamantyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-4-methylthiadiazole Traditional Name: 5-[4-(1-adamantyl)-5-(methylthio)-1,2,4-triazol-3-yl]-4-methyl-thiadiazole Formula: C16H21N5S2 MolecularWeight: 347.50144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C2=NN=C(N2C34CC5CC(C3)CC(C5)C4)SC

Isomeric SMILES

CC1=C(SN=N1)C2=NN=C(N2C34CC5CC(C3)CC(C5)C4)SC

InChI

InChI=1S/C16H21N5S2/c1-9-13(23-20-17-9)14-18-19-15(22-2)21(14)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-8H2,1-2H3