methyl 6-(3-chlorophenyl)-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(3-chlorophenyl)-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(3-chlorophenyl)-4-methyl-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-chlorophenyl)-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chlorophenyl)-4-methyl-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H19ClN2O2S MolecularWeight: 338.85226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=S)C2=CC(=CC=C2)Cl)C(=O)OC)C

Isomeric SMILES

CCCN1C(=C(C(NC1=S)C2=CC(=CC=C2)Cl)C(=O)OC)C

InChI

InChI=1S/C16H19ClN2O2S/c1-4-8-19-10(2)13(15(20)21-3)14(18-16(19)22)11-6-5-7-12(17)9-11/h5-7,9,14H,4,8H2,1-3H3,(H,18,22)