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

Systemtic Name: 4-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-2-methyl-benzenecarbonitrile Openeye Name: 4-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-2-methyl-benzonitrile CAS Name: 4-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-2-methylbenzonitrile IUPAC Name: 4-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-2-methylbenzonitrile Traditional Name: 4-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-benzonitrile Formula: C13H9ClN4O3S MolecularWeight: 336.75356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H9ClN4O3S/c1-7-5-9(4-3-8(7)6-15)21-12-10(18(19)20)11(14)16-13(17-12)22-2/h3-5H,1-2H3