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

Systemtic Name: ethyl 4-(4-chloranyl-3-nitro-phenyl)-6-propyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chloro-3-nitro-phenyl)-6-propyl-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-6-propyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-3-nitrophenyl)-6-propyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-6-propyl-2-thioxo-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C(C(=NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H16ClN3O4S/c1-3-5-11-13(15(21)24-4-2)14(19-16(25)18-11)9-6-7-10(17)12(8-9)20(22)23/h6-8H,3-5H2,1-2H3,(H,18,19,25)