N-[[2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-phenyl]methyl]-2-phenyl-ethanamine

Systemtic Name: N-[[2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-phenyl]methyl]-2-phenyl-ethanamine Openeye Name: N-[[2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-phenyl]methyl]-2-phenyl-ethanamine CAS Name: N-[[2-[(4-methoxyphenyl)methylthio]-5-nitrophenyl]methyl]-2-phenylethanamine IUPAC Name: N-[[2-[(4-methoxyphenyl)methylsulfanyl]-5-nitrophenyl]methyl]-2-phenylethanamine Traditional Name: [5-nitro-2-(p-anisylthio)benzyl]-phenethyl-amine Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])CNCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])CNCCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3S/c1-28-22-10-7-19(8-11-22)17-29-23-12-9-21(25(26)27)15-20(23)16-24-14-13-18-5-3-2-4-6-18/h2-12,15,24H,13-14,16-17H2,1H3