2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzaldehyde

Systemtic Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzaldehyde Openeye Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzaldehyde CAS Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-5-nitrobenzaldehyde IUPAC Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzaldehyde Traditional Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-5-nitro-benzaldehyde Formula: C15H9ClN4O3S MolecularWeight: 360.77496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)Cl

InChI

InChI=1S/C15H9ClN4O3S/c16-11-3-1-9(2-4-11)14-17-15(19-18-14)24-13-6-5-12(20(22)23)7-10(13)8-21/h1-8H,(H,17,18,19)