methyl 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoate

Systemtic Name: methyl 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoate Openeye Name: methyl 4-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)benzoate CAS Name: 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzoate Traditional Name: 4-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)benzoic acid methyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC(=S)N1C2=CC=C(C=C2)C(=O)OC)(C)C

Isomeric SMILES

CC1=CC(NC(=S)N1C2=CC=C(C=C2)C(=O)OC)(C)C

InChI

InChI=1S/C15H18N2O2S/c1-10-9-15(2,3)16-14(20)17(10)12-7-5-11(6-8-12)13(18)19-4/h5-9H,1-4H3,(H,16,20)