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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-chloranyl-pyrimidine-4-carboxylate Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-chloro-pyrimidine-4-carboxylate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5-chloro-4-pyrimidinecarboxylate IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-chloropyrimidine-4-carboxylate Traditional Name: 2-[(4-tert-butylbenzyl)thio]-5-chloro-pyrimidine-4-carboxylate Formula: C16H16ClN2O2S- MolecularWeight: 335.82844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C16H17ClN2O2S/c1-16(2,3)11-6-4-10(5-7-11)9-22-15-18-8-12(17)13(19-15)14(20)21/h4-8H,9H2,1-3H3,(H,20,21)/p-1