2-[2-nitro-1-(4-phenylmethoxyphenyl)ethyl]sulfanylaniline

Systemtic Name: 2-[2-nitro-1-(4-phenylmethoxyphenyl)ethyl]sulfanylaniline Openeye Name: 2-[1-(4-benzyloxyphenyl)-2-nitro-ethyl]sulfanylaniline CAS Name: 2-[[2-nitro-1-(4-phenylmethoxyphenyl)ethyl]thio]aniline IUPAC Name: 2-[2-nitro-1-(4-phenylmethoxyphenyl)ethyl]sulfanylaniline Traditional Name: [2-[[1-(4-benzoxyphenyl)-2-nitro-ethyl]thio]phenyl]amine Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C[N+](=O)[O-])SC3=CC=CC=C3N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C[N+](=O)[O-])SC3=CC=CC=C3N

InChI

InChI=1S/C21H20N2O3S/c22-19-8-4-5-9-20(19)27-21(14-23(24)25)17-10-12-18(13-11-17)26-15-16-6-2-1-3-7-16/h1-13,21H,14-15,22H2