1-(1-adamantyl)-3-methylsulfonyl-1,2,4-triazole

Systemtic Name: 1-(1-adamantyl)-3-methylsulfonyl-1,2,4-triazole Openeye Name: 1-(1-adamantyl)-3-methylsulfonyl-1,2,4-triazole CAS Name: 1-(1-adamantyl)-3-methylsulfonyl-1,2,4-triazole IUPAC Name: 1-(1-adamantyl)-3-methylsulfonyl-1,2,4-triazole Traditional Name: 1-(1-adamantyl)-3-mesyl-1,2,4-triazole Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN(C=N1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)C1=NN(C=N1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C13H19N3O2S/c1-19(17,18)12-14-8-16(15-12)13-5-9-2-10(6-13)4-11(3-9)7-13/h8-11H,2-7H2,1H3