(3E)-3-[[3-(3,4-dichlorophenyl)propyl-phenyl-amino]-oxidanyl-methylidene]thiochromen-4-one

Systemtic Name: (3E)-3-[[3-(3,4-dichlorophenyl)propyl-phenyl-amino]-oxidanyl-methylidene]thiochromen-4-one Openeye Name: (3E)-3-[[N-[3-(3,4-dichlorophenyl)propyl]anilino]-hydroxy-methylene]thiochroman-4-one CAS Name: (3E)-3-[[N-[3-(3,4-dichlorophenyl)propyl]anilino]-hydroxymethylidene]-1-benzothiopyran-4-one IUPAC Name: (3E)-3-[[N-[3-(3,4-dichlorophenyl)propyl]anilino]-hydroxymethylidene]thiochromen-4-one Traditional Name: (3E)-3-[[N-[3-(3,4-dichlorophenyl)propyl]anilino]-hydroxy-methylene]thiochroman-4-one Formula: C25H21Cl2NO2S MolecularWeight: 470.41074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N(CCCC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4S1

Isomeric SMILES

C1/C(=C(\N(CCCC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3)/O)/C(=O)C4=CC=CC=C4S1

InChI

InChI=1S/C25H21Cl2NO2S/c26-21-13-12-17(15-22(21)27)7-6-14-28(18-8-2-1-3-9-18)25(30)20-16-31-23-11-5-4-10-19(23)24(20)29/h1-5,8-13,15,30H,6-7,14,16H2/b25-20-