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

Systemtic Name: 2-[(1R)-1-(4-tert-butylphenyl)-2-nitro-ethyl]sulfanylaniline Openeye Name: 2-[(1R)-1-(4-tert-butylphenyl)-2-nitro-ethyl]sulfanylaniline CAS Name: 2-[[(1R)-1-(4-tert-butylphenyl)-2-nitroethyl]thio]aniline IUPAC Name: 2-[(1R)-1-(4-tert-butylphenyl)-2-nitroethyl]sulfanylaniline Traditional Name: [2-[[(1R)-1-(4-tert-butylphenyl)-2-nitro-ethyl]thio]phenyl]amine Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S/c1-18(2,3)14-10-8-13(9-11-14)17(12-20(21)22)23-16-7-5-4-6-15(16)19/h4-11,17H,12,19H2,1-3H3/t17-/m0/s1