5-(1-adamantyl)-3-methylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(1-adamantyl)-3-methylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(1-adamantyl)-3-methylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(1-adamantyl)-3-(methylthio)-1H-1,2,4-triazole IUPAC Name: 5-(1-adamantyl)-3-methylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(1-adamantyl)-3-(methylthio)-1H-1,2,4-triazole Formula: C13H19N3S MolecularWeight: 249.37506

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC1=NNC(=N1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C13H19N3S/c1-17-12-14-11(15-16-12)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-10H,2-7H2,1H3,(H,14,15,16)