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

Systemtic Name: ethyl 4-(4-methoxy-3-nitro-phenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxy-3-nitro-phenyl)-6-phenyl-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxy-3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxy-3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-methoxy-3-nitro-phenyl)-6-phenyl-2-thioxo-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N=C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N=C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O5S/c1-3-28-19(24)16-17(12-7-5-4-6-8-12)21-20(29)22-18(16)13-9-10-15(27-2)14(11-13)23(25)26/h4-11H,3H2,1-2H3,(H,21,22,29)