2-methylidene-1-(2-methylsulfanylphenyl)-3-(4-nitrophenyl)-3-oxidanyl-butan-1-one

Systemtic Name: 2-methylidene-1-(2-methylsulfanylphenyl)-3-(4-nitrophenyl)-3-oxidanyl-butan-1-one Openeye Name: 3-hydroxy-2-methylene-1-(2-methylsulfanylphenyl)-3-(4-nitrophenyl)butan-1-one CAS Name: 3-hydroxy-2-methylene-1-[2-(methylthio)phenyl]-3-(4-nitrophenyl)-1-butanone IUPAC Name: 3-hydroxy-2-methylidene-1-(2-methylsulfanylphenyl)-3-(4-nitrophenyl)butan-1-one Traditional Name: 2-[1-hydroxy-1-(4-nitrophenyl)ethyl]-1-[2-(methylthio)phenyl]prop-2-en-1-one Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])(C(=C)C(=O)C2=CC=CC=C2SC)O

Isomeric SMILES

CC(C1=CC=C(C=C1)[N+](=O)[O-])(C(=C)C(=O)C2=CC=CC=C2SC)O

InChI

InChI=1S/C18H17NO4S/c1-12(17(20)15-6-4-5-7-16(15)24-3)18(2,21)13-8-10-14(11-9-13)19(22)23/h4-11,21H,1H2,2-3H3