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

Systemtic Name: 4-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitro-benzaldehyde Formula: C13H8N4O4S MolecularWeight: 316.29202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N4O4S/c18-7-8-3-4-11(9(6-8)17(19)20)22-13-14-12(15-16-13)10-2-1-5-21-10/h1-7H,(H,14,15,16)