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

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)-thiophen-2-yl-methyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[(3,4-dichlorophenyl)-(2-thienyl)methyl]-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)-thiophen-2-ylmethyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)-thiophen-2-ylmethyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-[(3,4-dichlorophenyl)-(2-thienyl)methyl]-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C16H12Cl2N2O2S2 MolecularWeight: 399.31468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=S)N1C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CNC(=S)N1C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=CS3

InChI

InChI=1S/C16H12Cl2N2O2S2/c1-22-15(21)12-8-19-16(23)20(12)14(13-3-2-6-24-13)9-4-5-10(17)11(18)7-9/h2-8,14H,1H3,(H,19,23)