4-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzaldehyde

Systemtic Name: 4-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]-3-nitro-benzaldehyde Formula: C17H12ClN3O5S MolecularWeight: 405.81228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(O2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(O2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O5S/c1-10-6-12(18)3-4-14(10)25-9-16-19-20-17(26-16)27-15-5-2-11(8-22)7-13(15)21(23)24/h2-8H,9H2,1H3