(3E)-3-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethylidene]-5-methyl-thiochromen-4-one

Systemtic Name: (3E)-3-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethylidene]-5-methyl-thiochromen-4-one Openeye Name: (3E)-3-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethylidene]-5-methyl-thiochroman-4-one CAS Name: (3E)-3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethylidene]-5-methyl-1-benzothiopyran-4-one IUPAC Name: (3E)-3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethylidene]-5-methylthiochromen-4-one Traditional Name: (3E)-3-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethylidene]-5-methyl-thiochroman-4-one Formula: C33H26N2OS MolecularWeight: 498.63734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SCC(=C(C3=CN=CN3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C2=O

Isomeric SMILES

CC1=C2C(=CC=C1)SC/C(=C(/C3=CN=CN3)\C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)/C2=O

InChI

InChI=1S/C33H26N2OS/c1-23-12-11-19-29-30(23)32(36)27(21-37-29)31(28-20-34-22-35-28)33(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-20,22H,21H2,1H3,(H,34,35)/b31-27+