5-(2-chloranyl-6-fluoranyl-phenyl)-2-(phenylmethyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-chloranyl-6-fluoranyl-phenyl)-2-(phenylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-benzyl-5-(2-chloro-6-fluoro-phenyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(2-chloro-6-fluorophenyl)-2-(phenylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-benzyl-5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-benzyl-5-(2-chloro-6-fluoro-phenyl)-1H-1,2,4-triazole-3-thione Formula: C15H11ClFN3S MolecularWeight: 319.784343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=S)N=C(N2)C3=C(C=CC=C3Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=S)N=C(N2)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C15H11ClFN3S/c16-11-7-4-8-12(17)13(11)14-18-15(21)20(19-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19,21)