(2R,3E)-3-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-2-phenyl-chromen-4-one

Systemtic Name: (2R,3E)-3-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-2-phenyl-chromen-4-one Openeye Name: (2R,3E)-3-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]-2-phenyl-chroman-4-one CAS Name: (2R,3E)-3-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2R,3E)-3-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-2-phenylchromen-4-one Traditional Name: (2R,3E)-3-[3-nitro-4-(p-tolylthio)benzylidene]-2-phenyl-chroman-4-one Formula: C29H21NO4S MolecularWeight: 479.54634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3C(OC4=CC=CC=C4C3=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C/3\[C@H](OC4=CC=CC=C4C3=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H21NO4S/c1-19-11-14-22(15-12-19)35-27-16-13-20(18-25(27)30(32)33)17-24-28(31)23-9-5-6-10-26(23)34-29(24)21-7-3-2-4-8-21/h2-18,29H,1H3/b24-17-/t29-/m1/s1