3-(2-hydroxyethylsulfanyl)-1-(4-methylphenyl)-3-(4-nitrophenyl)propan-1-one

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-1-(4-methylphenyl)-3-(4-nitrophenyl)propan-1-one Openeye Name: 3-(2-hydroxyethylsulfanyl)-3-(4-nitrophenyl)-1-(p-tolyl)propan-1-one CAS Name: 3-(2-hydroxyethylthio)-1-(4-methylphenyl)-3-(4-nitrophenyl)-1-propanone IUPAC Name: 3-(2-hydroxyethylsulfanyl)-1-(4-methylphenyl)-3-(4-nitrophenyl)propan-1-one Traditional Name: 3-(2-hydroxyethylthio)-3-(4-nitrophenyl)-1-(p-tolyl)propan-1-one Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SCCO

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SCCO

InChI

InChI=1S/C18H19NO4S/c1-13-2-4-14(5-3-13)17(21)12-18(24-11-10-20)15-6-8-16(9-7-15)19(22)23/h2-9,18,20H,10-12H2,1H3