3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-phenoxy-benzenecarbonitrile

Systemtic Name: 3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-phenoxy-benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-phenoxy-benzonitrile CAS Name: 3-[[6-amino-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-5-phenoxybenzonitrile IUPAC Name: 3-(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-5-phenoxybenzonitrile Traditional Name: 3-[6-amino-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-phenoxy-benzonitrile Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OC2=CC(=CC(=C2)OC3=CC=CC=C3)C#N)[N+](=O)[O-])N

Isomeric SMILES

CSC1=NC(=C(C(=N1)OC2=CC(=CC(=C2)OC3=CC=CC=C3)C#N)[N+](=O)[O-])N

InChI

InChI=1S/C18H13N5O4S/c1-28-18-21-16(20)15(23(24)25)17(22-18)27-14-8-11(10-19)7-13(9-14)26-12-5-3-2-4-6-12/h2-9H,1H3,(H2,20,21,22)