1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol CAS Name: 1-[4-[2-(methylthio)phenyl]-1-piperazinyl]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-[4-[2-(methylthio)phenyl]piperazino]-3-(4-nitrophenoxy)propan-2-ol Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H25N3O4S/c1-28-20-5-3-2-4-19(20)22-12-10-21(11-13-22)14-17(24)15-27-18-8-6-16(7-9-18)23(25)26/h2-9,17,24H,10-15H2,1H3