3-(1-adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(1-adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1-adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(1-adamantyl)-5-[(4-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(1-adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(1-adamantyl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C19H23FN4S MolecularWeight: 358.476123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4N)SCC5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4N)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C19H23FN4S/c20-16-3-1-12(2-4-16)11-25-18-23-22-17(24(18)21)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-11,21H2