[4-(1,3-dithiolan-2-yl)phenyl] 3-cyanobenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-cyanobenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H13NO2S2 MolecularWeight: 327.42062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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