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

Systemtic Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-5-nitro-benzaldehyde Openeye Name: 5-nitro-2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]sulfanyl]benzaldehyde CAS Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thio]-5-nitrobenzaldehyde IUPAC Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-5-nitrobenzaldehyde Traditional Name: 5-nitro-2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]thio]benzaldehyde Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C16H11N3O4S/c1-10-2-4-11(5-3-10)15-17-16(23-18-15)24-14-7-6-13(19(21)22)8-12(14)9-20/h2-9H,1H3