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

Systemtic Name: 1-[2-[4-(chloromethyl)-2-nitro-phenyl]sulfanylphenyl]-N,N-dimethyl-methanamine Openeye Name: 1-[2-[4-(chloromethyl)-2-nitro-phenyl]sulfanylphenyl]-N,N-dimethyl-methanamine CAS Name: 1-[2-[[4-(chloromethyl)-2-nitrophenyl]thio]phenyl]-N,N-dimethylmethanamine IUPAC Name: 1-[2-[4-(chloromethyl)-2-nitrophenyl]sulfanylphenyl]-N,N-dimethylmethanamine Traditional Name: [2-[[4-(chloromethyl)-2-nitro-phenyl]thio]benzyl]-dimethyl-amine Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O2S/c1-18(2)11-13-5-3-4-6-15(13)22-16-8-7-12(10-17)9-14(16)19(20)21/h3-9H,10-11H2,1-2H3