1,2,3-thiadiazol-4-ylmethyl 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: 1,2,3-thiadiazol-4-ylmethyl 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: thiadiazol-4-ylmethyl 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid 4-thiadiazolylmethyl ester IUPAC Name: thiadiazol-4-ylmethyl 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid thiadiazol-4-ylmethyl ester Formula: C19H12ClN3O2S MolecularWeight: 381.83548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC4=CSN=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC4=CSN=N4

InChI

InChI=1S/C19H12ClN3O2S/c20-13-7-5-12(6-8-13)18-9-16(15-3-1-2-4-17(15)21-18)19(24)25-10-14-11-26-23-22-14/h1-9,11H,10H2