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

Systemtic Name: methyl 5-azanyl-3-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 5-amino-3-[(3,4-dichlorophenyl)methyl]-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 5-amino-3-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-3-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 5-amino-3-(3,4-dichlorobenzyl)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C12H11Cl2N3O2S MolecularWeight: 332.20564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)N

Isomeric SMILES

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)N

InChI

InChI=1S/C12H11Cl2N3O2S/c1-19-11(18)9-10(15)16-12(20)17(9)5-6-2-3-7(13)8(14)4-6/h2-4H,5,15H2,1H3,(H,16,20)