(4S)-4-(4-chlorophenyl)-1,3,5-trimethyl-2-sulfanylidene-4,5-dihydropyrimidin-1-ium-6-carboxylic acid

Systemtic Name: (4S)-4-(4-chlorophenyl)-1,3,5-trimethyl-2-sulfanylidene-4,5-dihydropyrimidin-1-ium-6-carboxylic acid Openeye Name: (4S)-4-(4-chlorophenyl)-1,3,5-trimethyl-2-thioxo-4,5-dihydropyrimidin-1-ium-6-carboxylic acid CAS Name: (4S)-4-(4-chlorophenyl)-1,3,5-trimethyl-2-sulfanylidene-4,5-dihydropyrimidin-1-ium-6-carboxylic acid IUPAC Name: (4S)-4-(4-chlorophenyl)-1,3,5-trimethyl-2-sulfanylidene-4,5-dihydropyrimidin-1-ium-6-carboxylic acid Traditional Name: (4S)-4-(4-chlorophenyl)-1,3,5-trimethyl-2-thioxo-4,5-dihydropyrimidin-1-ium-6-carboxylic acid Formula: C14H16ClN2O2S+ MolecularWeight: 311.80704

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(=S)[N+](=C1C(=O)O)C)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1[C@H](N(C(=S)[N+](=C1C(=O)O)C)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN2O2S/c1-8-11(9-4-6-10(15)7-5-9)16(2)14(20)17(3)12(8)13(18)19/h4-8,11H,1-3H3/p+1/t8?,11-/m0/s1