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

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-3-(4-nitrophenyl)carbonyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-3-(4-nitrobenzoyl)-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-3-[(4-nitrophenyl)-oxomethyl]-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-3-(4-nitrobenzoyl)-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-3-(4-nitrobenzoyl)-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C19H14N4O7S MolecularWeight: 442.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O7S/c1-10-15(18(25)26)16(12-3-2-4-14(9-12)23(29)30)21(19(31)20-10)17(24)11-5-7-13(8-6-11)22(27)28/h2-9,16H,1H3,(H,20,31)(H,25,26)