(4S)-4-(2,5-dimethylphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-4-(2,5-dimethylphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-(2,5-dimethylphenyl)-N-(4-fluorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(2,5-dimethylphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-(2,5-dimethylphenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-(2,5-dimethylphenyl)-N-(4-fluorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H20FN3OS MolecularWeight: 369.455703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H]2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3OS/c1-11-4-5-12(2)16(10-11)18-17(13(3)22-20(26)24-18)19(25)23-15-8-6-14(21)7-9-15/h4-10,18H,1-3H3,(H,23,25)(H2,22,24,26)/t18-/m0/s1