4-(3-chloranyl-4-fluoranyl-phenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chloro-4-fluorophenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chloro-4-fluorophenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate Formula: C14H10ClFN5S- MolecularWeight: 334.779103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)C3=NN=C(N3C4=CC(=C(C=C4)F)Cl)[S-]

Isomeric SMILES

C1CC1C2=CC(=NN2)C3=NN=C(N3C4=CC(=C(C=C4)F)Cl)[S-]

InChI

InChI=1S/C14H11ClFN5S/c15-9-5-8(3-4-10(9)16)21-13(19-20-14(21)22)12-6-11(17-18-12)7-1-2-7/h3-7H,1-2H2,(H,17,18)(H,20,22)/p-1