3-(1-adamantylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-(1-adamantylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-(1-adamantylsulfanyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-(1-adamantylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(1-adamantylsulfanyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(1-adamantylthio)-1H-1,2,4-triazol-5-yl]amine Formula: C12H18N4S MolecularWeight: 250.36312

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SC4=NNC(=N4)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SC4=NNC(=N4)N

InChI

InChI=1S/C12H18N4S/c13-10-14-11(16-15-10)17-12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H3,13,14,15,16)