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

Systemtic Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzaldehyde Openeye Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzaldehyde CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-5-nitrobenzaldehyde IUPAC Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzaldehyde Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-5-nitro-benzaldehyde Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C19H18N4O5S/c1-4-22-18(12-8-15(27-2)10-16(9-12)28-3)20-21-19(22)29-17-6-5-14(23(25)26)7-13(17)11-24/h5-11H,4H2,1-3H3