methyl 3-[1-(3,4-dichlorophenyl)butyl]-2-sulfanylidene-1H-imidazole-4-carboxylate

Systemtic Name: methyl 3-[1-(3,4-dichlorophenyl)butyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[1-(3,4-dichlorophenyl)butyl]-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[1-(3,4-dichlorophenyl)butyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[1-(3,4-dichlorophenyl)butyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-[1-(3,4-dichlorophenyl)butyl]-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C15H16Cl2N2O2S MolecularWeight: 359.27074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=C(C=C1)Cl)Cl)N2C(=CNC2=S)C(=O)OC

Isomeric SMILES

CCCC(C1=CC(=C(C=C1)Cl)Cl)N2C(=CNC2=S)C(=O)OC

InChI

InChI=1S/C15H16Cl2N2O2S/c1-3-4-12(9-5-6-10(16)11(17)7-9)19-13(14(20)21-2)8-18-15(19)22/h5-8,12H,3-4H2,1-2H3,(H,18,22)