4-[(1R)-1-(4-methylphenyl)-2-nitro-ethyl]sulfanylaniline

Systemtic Name: 4-[(1R)-1-(4-methylphenyl)-2-nitro-ethyl]sulfanylaniline Openeye Name: 4-[(1R)-2-nitro-1-(p-tolyl)ethyl]sulfanylaniline CAS Name: 4-[[(1R)-1-(4-methylphenyl)-2-nitroethyl]thio]aniline IUPAC Name: 4-[(1R)-1-(4-methylphenyl)-2-nitroethyl]sulfanylaniline Traditional Name: [4-[[(1R)-2-nitro-1-(p-tolyl)ethyl]thio]phenyl]amine Formula: C15H16N2O2S MolecularWeight: 288.36474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=C(C=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[N+](=O)[O-])SC2=CC=C(C=C2)N

InChI

InChI=1S/C15H16N2O2S/c1-11-2-4-12(5-3-11)15(10-17(18)19)20-14-8-6-13(16)7-9-14/h2-9,15H,10,16H2,1H3/t15-/m0/s1