ethyl 3-methyl-6-(4-nitrophenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-methyl-6-(4-nitrophenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-6-(4-nitrophenyl)-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-6-(4-nitrophenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-6-(4-nitrophenyl)-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-methyl-6-(4-nitrophenyl)-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H21N3O4S/c1-4-6-13-14(16(21)24-5-2)15(18-17(25)19(13)3)11-7-9-12(10-8-11)20(22)23/h7-10,15H,4-6H2,1-3H3,(H,18,25)