diethyl 3-(phenylmethyl)-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate

Systemtic Name: diethyl 3-(phenylmethyl)-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate Openeye Name: diethyl 3-benzyl-2-thioxo-1H-imidazole-4,5-dicarboxylate CAS Name: 3-(phenylmethyl)-2-sulfanylidene-1H-imidazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-benzyl-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate Traditional Name: 1-benzyl-2-thioxo-4-imidazoline-4,5-dicarboxylic acid diethyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C16H18N2O4S/c1-3-21-14(19)12-13(15(20)22-4-2)18(16(23)17-12)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,17,23)