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

Systemtic Name: 2-(dimethylaminomethyl)-3-(2-hydroxyethylsulfanyl)-1-(4-nitrophenyl)propan-1-one Openeye Name: 2-(dimethylaminomethyl)-3-(2-hydroxyethylsulfanyl)-1-(4-nitrophenyl)propan-1-one CAS Name: 2-(dimethylaminomethyl)-3-(2-hydroxyethylthio)-1-(4-nitrophenyl)-1-propanone IUPAC Name: 2-(dimethylaminomethyl)-3-(2-hydroxyethylsulfanyl)-1-(4-nitrophenyl)propan-1-one Traditional Name: 2-(dimethylaminomethyl)-3-(2-hydroxyethylthio)-1-(4-nitrophenyl)propan-1-one Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CSCCO)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC(CSCCO)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-15(2)9-12(10-21-8-7-17)14(18)11-3-5-13(6-4-11)16(19)20/h3-6,12,17H,7-10H2,1-2H3