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

Systemtic Name: 3-ethyl-4-(4-nitrophenyl)-6-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-ethyl-4-(4-nitrophenyl)-6-phenyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-ethyl-4-(4-nitrophenyl)-6-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-ethyl-4-(4-nitrophenyl)-6-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-ethyl-4-(4-nitrophenyl)-6-phenyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(NC1=S)C2=CC=CC=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(C(=C(NC1=S)C2=CC=CC=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c1-2-21-17(13-8-10-14(11-9-13)22(25)26)15(18(23)24)16(20-19(21)27)12-6-4-3-5-7-12/h3-11,17H,2H2,1H3,(H,20,27)(H,23,24)