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

Systemtic Name: 3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-(dimethylamino)benzenecarbonitrile Openeye Name: 3-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-(dimethylamino)benzonitrile CAS Name: 3-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-(dimethylamino)benzonitrile IUPAC Name: 3-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-4-(dimethylamino)benzonitrile Traditional Name: 3-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-4-(dimethylamino)benzonitrile Formula: C14H12ClN5O3S MolecularWeight: 365.79478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN5O3S/c1-19(2)9-5-4-8(7-16)6-10(9)23-13-11(20(21)22)12(15)17-14(18-13)24-3/h4-6H,1-3H3