1-(2-methylsulfanyl-2-adamantyl)-1,2,4-triazole

Systemtic Name: 1-(2-methylsulfanyl-2-adamantyl)-1,2,4-triazole Openeye Name: 1-(2-methylsulfanyl-2-adamantyl)-1,2,4-triazole CAS Name: 1-[2-(methylthio)-2-adamantyl]-1,2,4-triazole IUPAC Name: 1-(2-methylsulfanyl-2-adamantyl)-1,2,4-triazole Traditional Name: 1-[2-(methylthio)-2-adamantyl]-1,2,4-triazole Formula: C13H19N3S MolecularWeight: 249.37506

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(C2CC3CC(C2)CC1C3)N4C=NC=N4

Isomeric SMILES

CSC1(C2CC3CC(C2)CC1C3)N4C=NC=N4

InChI

InChI=1S/C13H19N3S/c1-17-13(16-8-14-7-15-16)11-3-9-2-10(5-11)6-12(13)4-9/h7-12H,2-6H2,1H3