4-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: 4-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Openeye Name: 4-(4-tert-butylphenyl)-2-thioxo-1H-pyrimidine-6-carboxylate CAS Name: 4-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate IUPAC Name: 4-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-2-thioxo-1H-pyrimidine-6-carboxylate Formula: C15H15N2O2S- MolecularWeight: 287.3568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H16N2O2S/c1-15(2,3)10-6-4-9(5-7-10)11-8-12(13(18)19)17-14(20)16-11/h4-8H,1-3H3,(H,18,19)(H,16,17,20)/p-1