2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylaniline

Systemtic Name: 2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylaniline Openeye Name: 2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylaniline CAS Name: 2-[[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]thio]aniline IUPAC Name: 2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylaniline Traditional Name: [2-[[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]thio]phenyl]amine Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C[N+](=O)[O-])SC2=CC=CC=C2N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H](C[N+](=O)[O-])SC2=CC=CC=C2N

InChI

InChI=1S/C17H20N2O5S/c1-22-13-8-11(9-14(23-2)17(13)24-3)16(10-19(20)21)25-15-7-5-4-6-12(15)18/h4-9,16H,10,18H2,1-3H3/t16-/m0/s1