2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(2-phenylpyrimidin-5-yl)ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(2-phenylpyrimidin-5-yl)ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(2-phenylpyrimidin-5-yl)acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-(2-phenyl-5-pyrimidinyl)acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(2-phenylpyrimidin-5-yl)acetamide Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-N-(2-phenylpyrimidin-5-yl)acetamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=CN=C(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=CN=C(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-28-18-8-7-14(9-17(18)24(26)27)12-29-13-19(25)23-16-10-21-20(22-11-16)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,23,25)