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

Systemtic Name: methyl 4-[(4,5-diphenylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4,5-diphenylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4,5-diphenyl-2-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,5-diphenylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4,5-diphenylpyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C25H20N2O2S MolecularWeight: 412.5035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O2S/c1-29-24(28)21-14-12-18(13-15-21)17-30-25-26-16-22(19-8-4-2-5-9-19)23(27-25)20-10-6-3-7-11-20/h2-16H,17H2,1H3