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

Systemtic Name: 2-[(1R)-2-nitro-1-(4-propan-2-ylphenyl)ethyl]sulfanylaniline Openeye Name: 2-[(1R)-1-(4-isopropylphenyl)-2-nitro-ethyl]sulfanylaniline CAS Name: 2-[[(1R)-2-nitro-1-(4-propan-2-ylphenyl)ethyl]thio]aniline IUPAC Name: 2-[(1R)-2-nitro-1-(4-propan-2-ylphenyl)ethyl]sulfanylaniline Traditional Name: [2-[[(1R)-2-nitro-1-p-cumenyl-ethyl]thio]phenyl]amine Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C[N+](=O)[O-])SC2=CC=CC=C2N

InChI

InChI=1S/C17H20N2O2S/c1-12(2)13-7-9-14(10-8-13)17(11-19(20)21)22-16-6-4-3-5-15(16)18/h3-10,12,17H,11,18H2,1-2H3/t17-/m0/s1