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

Systemtic Name: (E)-2-(2-bromophenyl)sulfanyl-1-(4-chlorophenyl)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-2-(2-bromophenyl)sulfanyl-1-(4-chlorophenyl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-2-[(2-bromophenyl)thio]-1-(4-chlorophenyl)-3-(4-hydroxy-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-2-(2-bromophenyl)sulfanyl-1-(4-chlorophenyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-2-[(2-bromophenyl)thio]-1-(4-chlorophenyl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-en-1-one Formula: C21H13BrClNO4S MolecularWeight: 490.75422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrClNO4S/c22-16-3-1-2-4-19(16)29-20(21(26)14-6-8-15(23)9-7-14)12-13-5-10-18(25)17(11-13)24(27)28/h1-12,25H/b20-12+