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

Systemtic Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4S/c1-3-16-12(9-5-4-6-10(7-9)17(20)21)11(13(18)19)8(2)15-14(16)22/h4-7,12H,3H2,1-2H3,(H,15,22)(H,18,19)