4-(4-chloranyl-3-nitro-phenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-chloranyl-3-nitro-phenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(4-chloro-3-nitro-phenyl)-3-ethyl-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(4-chloro-3-nitrophenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(4-chloro-3-nitrophenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(4-chloro-3-nitro-phenyl)-3-ethyl-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C14H14ClN3O4S MolecularWeight: 355.79666

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN3O4S/c1-3-17-12(11(13(19)20)7(2)16-14(17)23)8-4-5-9(15)10(6-8)18(21)22/h4-6,12H,3H2,1-2H3,(H,16,23)(H,19,20)