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

Systemtic Name: 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzaldehyde Formula: C15H12N4O4S MolecularWeight: 344.34518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C15H12N4O4S/c1-2-18-14(12-4-3-7-23-12)16-17-15(18)24-13-6-5-10(9-20)8-11(13)19(21)22/h3-9H,2H2,1H3