5-[3-[1-(2-methylphenyl)imidazol-2-yl]sulfinylpropoxy]-2-nitro-benzaldehyde

Systemtic Name: 5-[3-[1-(2-methylphenyl)imidazol-2-yl]sulfinylpropoxy]-2-nitro-benzaldehyde Openeye Name: 2-nitro-5-[3-[1-(o-tolyl)imidazol-2-yl]sulfinylpropoxy]benzaldehyde CAS Name: 5-[3-[[1-(2-methylphenyl)-2-imidazolyl]sulfinyl]propoxy]-2-nitrobenzaldehyde IUPAC Name: 5-[3-[1-(2-methylphenyl)imidazol-2-yl]sulfinylpropoxy]-2-nitrobenzaldehyde Traditional Name: 2-nitro-5-[3-[1-(o-tolyl)imidazol-2-yl]sulfinylpropoxy]benzaldehyde Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2S(=O)CCCOC3=CC(=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2S(=O)CCCOC3=CC(=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C20H19N3O5S/c1-15-5-2-3-6-18(15)22-10-9-21-20(22)29(27)12-4-11-28-17-7-8-19(23(25)26)16(13-17)14-24/h2-3,5-10,13-14H,4,11-12H2,1H3