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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(O2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(O2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O4S/c20-10-12-6-7-14(13(8-12)19(21)22)24-16-18-17-15(23-16)9-11-4-2-1-3-5-11/h1-8,10H,9H2