N-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[(4,6-dimethoxy-2-pyrimidinyl)methylthio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[(4,6-dimethoxypyrimidin-2-yl)methylthio]phenyl]-4-nitro-benzamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18N4O5S/c1-28-18-11-19(29-2)23-17(22-18)12-30-16-9-5-14(6-10-16)21-20(25)13-3-7-15(8-4-13)24(26)27/h3-11H,12H2,1-2H3,(H,21,25)