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

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chloro-4-fluorophenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chloro-4-fluorophenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione Formula: C17H11ClFN5S MolecularWeight: 371.819143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C17H11ClFN5S/c18-12-8-11(6-7-13(12)19)24-16(22-23-17(24)25)15-9-14(20-21-15)10-4-2-1-3-5-10/h1-9H,(H,20,21)(H,23,25)