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

Systemtic Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzaldehyde Openeye Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzaldehyde CAS Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-5-nitrobenzaldehyde IUPAC Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzaldehyde Traditional Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-5-nitro-benzaldehyde Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C=O)COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O4S/c1-2-21-17(12-26-15-6-4-3-5-7-15)19-20-18(21)27-16-9-8-14(22(24)25)10-13(16)11-23/h3-11H,2,12H2,1H3