methyl 3-[1-(3,4-dichlorophenyl)propyl]-5-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylate

Systemtic Name: methyl 3-[1-(3,4-dichlorophenyl)propyl]-5-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[1-(3,4-dichlorophenyl)propyl]-5-phenyl-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[1-(3,4-dichlorophenyl)propyl]-5-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[1-(3,4-dichlorophenyl)propyl]-5-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-[1-(3,4-dichlorophenyl)propyl]-5-phenyl-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C20H18Cl2N2O2S MolecularWeight: 421.34012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)Cl)Cl)N2C(=C(NC2=S)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(C1=CC(=C(C=C1)Cl)Cl)N2C(=C(NC2=S)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H18Cl2N2O2S/c1-3-16(13-9-10-14(21)15(22)11-13)24-18(19(25)26-2)17(23-20(24)27)12-7-5-4-6-8-12/h4-11,16H,3H2,1-2H3,(H,23,27)