ethyl 6-methyl-4-(4-methyl-3-nitro-phenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-(4-methyl-3-nitro-phenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(4-methyl-3-nitro-phenyl)-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-methyl-3-nitrophenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(4-methyl-3-nitrophenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(4-methyl-3-nitro-phenyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N=C1C2=CC(=C(C=C2)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N=C1C2=CC(=C(C=C2)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H15N3O4S/c1-4-22-14(19)12-9(3)16-15(23)17-13(12)10-6-5-8(2)11(7-10)18(20)21/h5-7H,4H2,1-3H3,(H,16,17,23)