ethyl 4-methyl-6-(3-nitrophenyl)-2-prop-2-enylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(3-nitrophenyl)-2-prop-2-enylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-allylsulfanyl-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(3-nitrophenyl)-2-(prop-2-enylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(3-nitrophenyl)-2-prop-2-enylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(allylthio)-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)SCC=C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)SCC=C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-4-9-25-17-18-11(3)14(16(21)24-5-2)15(19-17)12-7-6-8-13(10-12)20(22)23/h4,6-8,10H,1,5,9H2,2-3H3