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

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(pyridin-4-ylcarbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(pyridine-4-carbonylamino)-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-5-[[oxo(pyridin-4-yl)methyl]amino]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(pyridine-4-carbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-(3,4-dichlorobenzyl)-5-isonicotinamido-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C18H14Cl2N4O3S MolecularWeight: 437.29976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H14Cl2N4O3S/c1-27-17(26)14-15(22-16(25)11-4-6-21-7-5-11)23-18(28)24(14)9-10-2-3-12(19)13(20)8-10/h2-8H,9H2,1H3,(H,22,25)(H,23,28)