3-[1-(2,4-dichlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one

Systemtic Name: 3-[1-(2,4-dichlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one Openeye Name: 3-[1-(2,4-dichlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one CAS Name: 3-[1-(2,4-dichlorophenyl)-2-[(4-nitrophenyl)methylthio]-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-(2,4-dichlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one Traditional Name: 3-[1-(2,4-dichlorophenyl)-2-[(4-nitrobenzyl)thio]imidazol-4-yl]coumarin Formula: C25H15Cl2N3O4S MolecularWeight: 524.3753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C25H15Cl2N3O4S/c26-17-7-10-22(20(27)12-17)29-13-21(19-11-16-3-1-2-4-23(16)34-24(19)31)28-25(29)35-14-15-5-8-18(9-6-15)30(32)33/h1-13H,14H2