(E)-1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-nitro-phenyl)-2-(p-tolylsulfanyl)prop-2-en-1-one CAS Name: (E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-nitrophenyl)-2-[(4-methylphenyl)thio]-2-propen-1-one IUPAC Name: (E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-nitrophenyl)-2-(4-methylphenyl)sulfanylprop-2-en-1-one Traditional Name: (E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-nitro-phenyl)-2-(p-tolylthio)prop-2-en-1-one Formula: C22H16ClNO4S MolecularWeight: 425.88474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S/C(=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])/C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H16ClNO4S/c1-14-2-9-18(10-3-14)29-21(22(26)16-5-7-17(23)8-6-16)13-15-4-11-20(25)19(12-15)24(27)28/h2-13,25H,1H3/b21-13+