(4-pyrazol-1-ylphenyl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H18N4O2S/c1-28-21-22-14-19(25(21)18-6-3-2-4-7-18)20(26)27-15-16-8-10-17(11-9-16)24-13-5-12-23-24/h2-14H,15H2,1H3