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

Systemtic Name: 3-[(2-fluorophenyl)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2-fluorophenyl)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2-fluorophenyl)methyl]-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-fluorophenyl)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-fluorobenzyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C16H14FN5O2S MolecularWeight: 359.378063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C16H14FN5O2S/c17-14-4-2-1-3-12(14)9-15-19-20-16(21(15)18)25-10-11-5-7-13(8-6-11)22(23)24/h1-8H,9-10,18H2