2-(2-hydroxyethylsulfanylmethyl)-1-(4-nitrophenyl)prop-2-en-1-one

Systemtic Name: 2-(2-hydroxyethylsulfanylmethyl)-1-(4-nitrophenyl)prop-2-en-1-one Openeye Name: 2-(2-hydroxyethylsulfanylmethyl)-1-(4-nitrophenyl)prop-2-en-1-one CAS Name: 2-[(2-hydroxyethylthio)methyl]-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 2-(2-hydroxyethylsulfanylmethyl)-1-(4-nitrophenyl)prop-2-en-1-one Traditional Name: 2-[(2-hydroxyethylthio)methyl]-1-(4-nitrophenyl)prop-2-en-1-one Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-9(8-18-7-6-14)12(15)10-2-4-11(5-3-10)13(16)17/h2-5,14H,1,6-8H2