4-[(4-fluorophenyl)methyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(4-fluorophenyl)methyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[(4-fluorophenyl)methyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[(4-fluorophenyl)methyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(4-fluorophenyl)methyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-fluorobenzyl)-5-propyl-1,2,4-triazole-3-thiolate Formula: C12H13FN3S- MolecularWeight: 250.315123

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC=C(C=C2)F)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=C(C=C2)F)[S-]

InChI

InChI=1S/C12H14FN3S/c1-2-3-11-14-15-12(17)16(11)8-9-4-6-10(13)7-5-9/h4-7H,2-3,8H2,1H3,(H,15,17)/p-1