methyl 4-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]methyl]benzoic acid methyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=C(C=C2)C(=O)OC)C#N

InChI

InChI=1S/C16H15N3O2S/c1-10-14(8-17)15(19-11(2)18-10)22-9-12-4-6-13(7-5-12)16(20)21-3/h4-7H,9H2,1-3H3