3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-benzonitrile CAS Name: 3-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-phenylmethoxybenzonitrile IUPAC Name: 3-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-benzonitrile Formula: C19H13ClN4O4S MolecularWeight: 428.84892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3

InChI

InChI=1S/C19H13ClN4O4S/c1-29-19-22-17(20)16(24(25)26)18(23-19)28-15-9-13(10-21)7-8-14(15)27-11-12-5-3-2-4-6-12/h2-9H,11H2,1H3