(3-cyanophenyl) 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (3-cyanophenyl) 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (3-cyanophenyl) 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-cyanophenyl) ester Formula: C17H13NO2S2 MolecularWeight: 327.42062

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H13NO2S2/c18-11-12-2-1-3-15(10-12)20-16(19)13-4-6-14(7-5-13)17-21-8-9-22-17/h1-7,10,17H,8-9H2