methyl 6-(4-cyanophenyl)-3-(2,5-dimethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(4-cyanophenyl)-3-(2,5-dimethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(4-cyanophenyl)-3-(2,5-dimethylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-cyanophenyl)-3-(2,5-dimethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-cyanophenyl)-3-(2,5-dimethylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-cyanophenyl)-3-(2,5-dimethylphenyl)-4-methyl-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:

CC1=CC(=C(C=C1)C)N2C(=C(C(NC2=S)C3=CC=C(C=C3)C#N)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C(C(NC2=S)C3=CC=C(C=C3)C#N)C(=O)OC)C

InChI

InChI=1S/C22H21N3O2S/c1-13-5-6-14(2)18(11-13)25-15(3)19(21(26)27-4)20(24-22(25)28)17-9-7-16(12-23)8-10-17/h5-11,20H,1-4H3,(H,24,28)