3-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]propan-1-ol

Systemtic Name: 3-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]propan-1-ol Openeye Name: 3-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]propan-1-ol CAS Name: 3-[3-(dimethylaminomethyl)-4-[(2-nitrophenyl)thio]phenoxy]-1-propanol IUPAC Name: 3-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanylphenoxy]propan-1-ol Traditional Name: 3-[3-(dimethylaminomethyl)-4-[(2-nitrophenyl)thio]phenoxy]propan-1-ol Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-19(2)13-14-12-15(24-11-5-10-21)8-9-17(14)25-18-7-4-3-6-16(18)20(22)23/h3-4,6-9,12,21H,5,10-11,13H2,1-2H3