5-chloranyl-2-[(4-cyanophenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[(4-cyanophenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[(4-cyanophenyl)methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-cyanophenyl)methylthio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[(4-cyanophenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(4-cyanobenzyl)thio]pyrimidine-4-carboxylate Formula: C13H7ClN3O2S- MolecularWeight: 304.73158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)[O-])Cl)C#N

InChI

InChI=1S/C13H8ClN3O2S/c14-10-6-16-13(17-11(10)12(18)19)20-7-9-3-1-8(5-15)2-4-9/h1-4,6H,7H2,(H,18,19)/p-1