1-[2-[4-(3-fluoranylpropyl)-2-nitro-phenyl]sulfanylphenyl]-N,N-dimethyl-methanamine

Systemtic Name: 1-[2-[4-(3-fluoranylpropyl)-2-nitro-phenyl]sulfanylphenyl]-N,N-dimethyl-methanamine Openeye Name: 1-[2-[4-(3-fluoropropyl)-2-nitro-phenyl]sulfanylphenyl]-N,N-dimethyl-methanamine CAS Name: 1-[2-[[4-(3-fluoropropyl)-2-nitrophenyl]thio]phenyl]-N,N-dimethylmethanamine IUPAC Name: 1-[2-[4-(3-fluoropropyl)-2-nitrophenyl]sulfanylphenyl]-N,N-dimethylmethanamine Traditional Name: [2-[[4-(3-fluoropropyl)-2-nitro-phenyl]thio]benzyl]-dimethyl-amine Formula: C18H21FN2O2S MolecularWeight: 348.434943

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)CCCF)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)CCCF)[N+](=O)[O-]

InChI

InChI=1S/C18H21FN2O2S/c1-20(2)13-15-7-3-4-8-17(15)24-18-10-9-14(6-5-11-19)12-16(18)21(22)23/h3-4,7-10,12H,5-6,11,13H2,1-2H3