methyl 3-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(5-cyano-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-cyano-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]methyl]benzoic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=CC(=C3)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=CC(=C3)C(=O)OC)C#N

InChI

InChI=1S/C18H17N3O2S/c1-11-15(9-19)17(21-16(20-11)13-6-7-13)24-10-12-4-3-5-14(8-12)18(22)23-2/h3-5,8,13H,6-7,10H2,1-2H3