4-(3-chloranyl-4-fluoranyl-phenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-5-(2-thienylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chloro-4-fluorophenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chloro-4-fluorophenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-5-(2-thenyl)-1,2,4-triazole-3-thiolate Formula: C13H8ClFN3S2- MolecularWeight: 324.804123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NN=C(N2C3=CC(=C(C=C3)F)Cl)[S-]

Isomeric SMILES

C1=CSC(=C1)CC2=NN=C(N2C3=CC(=C(C=C3)F)Cl)[S-]

InChI

InChI=1S/C13H9ClFN3S2/c14-10-6-8(3-4-11(10)15)18-12(16-17-13(18)19)7-9-2-1-5-20-9/h1-6H,7H2,(H,17,19)/p-1