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

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(pyrimidin-5-ylcarbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(pyrimidine-5-carbonylamino)-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-5-[[oxo(5-pyrimidinyl)methyl]amino]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(pyrimidine-5-carbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-(3,4-dichlorobenzyl)-5-(pyrimidine-5-carbonylamino)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C17H13Cl2N5O3S MolecularWeight: 438.28782

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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=CN=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2N5O3S/c1-27-16(26)13-14(22-15(25)10-5-20-8-21-6-10)23-17(28)24(13)7-9-2-3-11(18)12(19)4-9/h2-6,8H,7H2,1H3,(H,22,25)(H,23,28)