methyl 5-[(4,5-diphenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4,5-diphenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4,5-diphenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4,5-diphenyl-2-pyrimidinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4,5-diphenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4,5-diphenylpyrimidin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H18N2O3S/c1-27-22(26)20-13-12-18(28-20)15-29-23-24-14-19(16-8-4-2-5-9-16)21(25-23)17-10-6-3-7-11-17/h2-14H,15H2,1H3