(4-pyrazol-1-ylphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H18N2O2S2/c23-19(16-4-6-17(7-5-16)20-25-12-13-26-20)24-14-15-2-8-18(9-3-15)22-11-1-10-21-22/h1-11,20H,12-14H2