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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] pyrazine-2-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C14H12N2O2S2 MolecularWeight: 304.38728

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=NC=CN=C3

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=NC=CN=C3

InChI

InChI=1S/C14H12N2O2S2/c17-13(12-9-15-5-6-16-12)18-11-3-1-10(2-4-11)14-19-7-8-20-14/h1-6,9,14H,7-8H2