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

Systemtic Name: methyl 5-acetamido-3-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 5-acetamido-3-[(3,4-dichlorophenyl)methyl]-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 5-acetamido-3-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-acetamido-3-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 5-acetamido-3-(3,4-dichlorobenzyl)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C14H13Cl2N3O3S MolecularWeight: 374.24232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N(C(=S)N1)CC2=CC(=C(C=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(N(C(=S)N1)CC2=CC(=C(C=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C14H13Cl2N3O3S/c1-7(20)17-12-11(13(21)22-2)19(14(23)18-12)6-8-3-4-9(15)10(16)5-8/h3-5H,6H2,1-2H3,(H,17,20)(H,18,23)