2-[4-(4-chloranyl-2-nitro-phenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]ethanol

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]ethanol Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]ethanol CAS Name: 2-[4-[(4-chloro-2-nitrophenyl)thio]-3-(dimethylaminomethyl)phenoxy]ethanol IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)sulfanyl-3-(dimethylaminomethyl)phenoxy]ethanol Traditional Name: 2-[4-[(4-chloro-2-nitro-phenyl)thio]-3-(dimethylaminomethyl)phenoxy]ethanol Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1)OCCO)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)OCCO)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClN2O4S/c1-19(2)11-12-9-14(24-8-7-21)4-6-16(12)25-17-5-3-13(18)10-15(17)20(22)23/h3-6,9-10,21H,7-8,11H2,1-2H3