5-chloranyl-2-[(3-cyanophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[(3-cyanophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[(3-cyanophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[(3-cyanophenyl)methylthio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[(3-cyanophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[(3-cyanobenzyl)thio]pyrimidine-4-carboxylic acid Formula: C13H8ClN3O2S MolecularWeight: 305.73952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=C(C(=N2)C(=O)O)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=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)20-7-9-3-1-2-8(4-9)5-15/h1-4,6H,7H2,(H,18,19)