N,N-dimethyl-4-(2-nitro-1-phenylsulfanyl-ethyl)aniline

Systemtic Name: N,N-dimethyl-4-(2-nitro-1-phenylsulfanyl-ethyl)aniline Openeye Name: N,N-dimethyl-4-(2-nitro-1-phenylsulfanyl-ethyl)aniline CAS Name: N,N-dimethyl-4-[2-nitro-1-(phenylthio)ethyl]aniline IUPAC Name: N,N-dimethyl-4-(2-nitro-1-phenylsulfanylethyl)aniline Traditional Name: dimethyl-[4-[2-nitro-1-(phenylthio)ethyl]phenyl]amine Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O2S/c1-17(2)14-10-8-13(9-11-14)16(12-18(19)20)21-15-6-4-3-5-7-15/h3-11,16H,12H2,1-2H3