dimethyl 3-[1-(3,4-dichlorophenyl)butyl]-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate

Systemtic Name: dimethyl 3-[1-(3,4-dichlorophenyl)butyl]-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate Openeye Name: dimethyl 3-[1-(3,4-dichlorophenyl)butyl]-2-thioxo-1H-imidazole-4,5-dicarboxylate CAS Name: 3-[1-(3,4-dichlorophenyl)butyl]-2-sulfanylidene-1H-imidazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[1-(3,4-dichlorophenyl)butyl]-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate Traditional Name: 1-[1-(3,4-dichlorophenyl)butyl]-2-thioxo-4-imidazoline-4,5-dicarboxylic acid dimethyl ester Formula: C17H18Cl2N2O4S MolecularWeight: 417.30682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=C(C=C1)Cl)Cl)N2C(=C(NC2=S)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCC(C1=CC(=C(C=C1)Cl)Cl)N2C(=C(NC2=S)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H18Cl2N2O4S/c1-4-5-12(9-6-7-10(18)11(19)8-9)21-14(16(23)25-3)13(15(22)24-2)20-17(21)26/h6-8,12H,4-5H2,1-3H3,(H,20,26)