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

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3-carboxylic acid Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4S/c1-7-5-10(14(12(16)17)11(20)13-7)8-3-2-4-9(6-8)15(18)19/h2-6,10H,1H3,(H,13,20)(H,16,17)