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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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