4-[2-(4-methylphenyl)sulfanylethylamino]-3-nitro-benzaldehyde

Systemtic Name: 4-[2-(4-methylphenyl)sulfanylethylamino]-3-nitro-benzaldehyde Openeye Name: 3-nitro-4-[2-(p-tolylsulfanyl)ethylamino]benzaldehyde CAS Name: 4-[2-[(4-methylphenyl)thio]ethylamino]-3-nitrobenzaldehyde IUPAC Name: 4-[2-(4-methylphenyl)sulfanylethylamino]-3-nitrobenzaldehyde Traditional Name: 3-nitro-4-[2-(p-tolylthio)ethylamino]benzaldehyde Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-12-2-5-14(6-3-12)22-9-8-17-15-7-4-13(11-19)10-16(15)18(20)21/h2-7,10-11,17H,8-9H2,1H3