N-[4-(chloromethyl)-2-nitro-phenyl]-N-methyl-thiolan-3-amine

Systemtic Name: N-[4-(chloromethyl)-2-nitro-phenyl]-N-methyl-thiolan-3-amine Openeye Name: N-[4-(chloromethyl)-2-nitro-phenyl]-N-methyl-tetrahydrothiophen-3-amine CAS Name: N-[4-(chloromethyl)-2-nitrophenyl]-N-methyl-3-thiolanamine IUPAC Name: N-[4-(chloromethyl)-2-nitrophenyl]-N-methylthiolan-3-amine Traditional Name: [4-(chloromethyl)-2-nitro-phenyl]-methyl-tetrahydrothiophen-3-yl-amine Formula: C12H15ClN2O2S MolecularWeight: 286.7777

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C2=C(C=C(C=C2)CCl)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCSC1)C2=C(C=C(C=C2)CCl)[N+](=O)[O-]

InChI

InChI=1S/C12H15ClN2O2S/c1-14(10-4-5-18-8-10)11-3-2-9(7-13)6-12(11)15(16)17/h2-3,6,10H,4-5,7-8H2,1H3