methyl (6R)-6-(3-cyanophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-6-(3-cyanophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(3-cyanophenyl)-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(3-cyanophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(3-cyanophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3-cyanophenyl)-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=CC(=C3)C#N)C(=O)OC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1C2=CC=CC=C2)C3=CC=CC(=C3)C#N)C(=O)OC

InChI

InChI=1S/C22H21N3O2S/c1-3-8-18-19(21(26)27-2)20(16-10-7-9-15(13-16)14-23)24-22(28)25(18)17-11-5-4-6-12-17/h4-7,9-13,20H,3,8H2,1-2H3,(H,24,28)/t20-/m1/s1