ethyl 4-methyl-6-(4-nitrophenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(4-nitrophenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(4-nitrophenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[(4-nitrophenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(4-nitrophenyl)sulfanyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[(4-nitrophenyl)thio]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C20H17N3O4S/c1-3-27-20(24)17-13(2)21-18(14-7-5-4-6-8-14)22-19(17)28-16-11-9-15(10-12-16)23(25)26/h4-12H,3H2,1-2H3