(3-cyanophenyl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: (3-cyanophenyl)methyl 4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid (3-cyanobenzyl) ester Formula: C19H15N3O2S2 MolecularWeight: 381.4713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H15N3O2S2/c1-12-16(18(25-2)22-17(21-12)15-7-4-8-26-15)19(23)24-11-14-6-3-5-13(9-14)10-20/h3-9H,11H2,1-2H3