ethyl 4-[(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzoate

Systemtic Name: ethyl 4-[(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzoate Openeye Name: ethyl 4-[(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]benzoate CAS Name: 4-[[5-nitro-2-(2-pyrimidinylthio)phenyl]methylideneamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-nitro-2-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzoate Traditional Name: 4-[[5-nitro-2-(2-pyrimidylthio)benzylidene]amino]benzoic acid ethyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=CC=N3

InChI

InChI=1S/C20H16N4O4S/c1-2-28-19(25)14-4-6-16(7-5-14)23-13-15-12-17(24(26)27)8-9-18(15)29-20-21-10-3-11-22-20/h3-13H,2H2,1H3