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

Systemtic Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzaldehyde Openeye Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzaldehyde CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-5-nitrobenzaldehyde IUPAC Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzaldehyde Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-5-nitro-benzaldehyde Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)OC

InChI

InChI=1S/C17H14N4O5S/c1-25-13-6-10(7-14(8-13)26-2)16-18-17(20-19-16)27-15-4-3-12(21(23)24)5-11(15)9-22/h3-9H,1-2H3,(H,18,19,20)