3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chloro-6-fluorophenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-chloro-6-fluoro-benzyl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Formula: C13H15ClFN3OS MolecularWeight: 315.794103

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NNC1=S)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

COCCCN1C(=NNC1=S)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H15ClFN3OS/c1-19-7-3-6-18-12(16-17-13(18)20)8-9-10(14)4-2-5-11(9)15/h2,4-5H,3,6-8H2,1H3,(H,17,20)