4-(3-fluorophenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-fluorophenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-fluorophenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-fluorophenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-fluorophenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-fluorophenyl)-3-tridecyl-1H-1,2,4-triazole-5-thione Formula: C21H32FN3S MolecularWeight: 377.562283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC(=CC=C2)F

Isomeric SMILES

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC(=CC=C2)F

InChI

InChI=1S/C21H32FN3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-23-24-21(26)25(20)19-15-13-14-18(22)17-19/h13-15,17H,2-12,16H2,1H3,(H,24,26)