4-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Formula: C14H8ClN4O2S- MolecularWeight: 331.75692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(N2C3=CC=C(C=C3)Cl)[S-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(N2C3=CC=C(C=C3)Cl)[S-])[N+](=O)[O-]

InChI

InChI=1S/C14H9ClN4O2S/c15-10-3-7-11(8-4-10)18-13(16-17-14(18)22)9-1-5-12(6-2-9)19(20)21/h1-8H,(H,17,22)/p-1