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

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(furan-2-ylcarbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(furan-2-carbonylamino)-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-5-[[2-furanyl(oxo)methyl]amino]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)methyl]-5-(furan-2-carbonylamino)-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-(3,4-dichlorobenzyl)-5-(2-furoylamino)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C17H13Cl2N3O4S MolecularWeight: 426.27382

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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=CO3

Isomeric SMILES

COC(=O)C1=C(NC(=S)N1CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=CO3

InChI

InChI=1S/C17H13Cl2N3O4S/c1-25-16(24)13-14(20-15(23)12-3-2-6-26-12)21-17(27)22(13)8-9-4-5-10(18)11(19)7-9/h2-7H,8H2,1H3,(H,20,23)(H,21,27)