6-methyl-4-(3-nitrophenyl)-3-(phenylcarbonyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-3-(phenylcarbonyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-benzoyl-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-benzoyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-benzoyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-benzoyl-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H15N3O5S/c1-11-15(18(24)25)16(13-8-5-9-14(10-13)22(26)27)21(19(28)20-11)17(23)12-6-3-2-4-7-12/h2-10,16H,1H3,(H,20,28)(H,24,25)