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

Systemtic Name: ethyl 4-(4-methyl-3-nitro-phenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-isopropyl-4-(4-methyl-3-nitro-phenyl)-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methyl-3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methyl-3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-isopropyl-4-(4-methyl-3-nitro-phenyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-5-24-16(21)13-14(9(2)3)18-17(25)19-15(13)11-7-6-10(4)12(8-11)20(22)23/h6-9H,5H2,1-4H3,(H,18,19,25)