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

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(imidazol-1-ylcarbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(imidazole-1-carbonylamino)-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-5-[[1-imidazolyl(oxo)methyl]amino]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(imidazole-1-carbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-(3,4-dichlorobenzyl)-5-(imidazole-1-carbonylamino)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C16H13Cl2N5O3S MolecularWeight: 426.27712

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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)N3C=CN=C3

Isomeric SMILES

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)NC(=O)N3C=CN=C3

InChI

InChI=1S/C16H13Cl2N5O3S/c1-26-14(24)12-13(20-15(25)22-5-4-19-8-22)21-16(27)23(12)7-9-2-3-10(17)11(18)6-9/h2-6,8H,7H2,1H3,(H,20,25)(H,21,27)