N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2-(4-nitrophenoxy)acetamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N4O4S/c1-13-11-14(2)22-20(21-13)29-18-9-3-15(4-10-18)23-19(25)12-28-17-7-5-16(6-8-17)24(26)27/h3-11H,12H2,1-2H3,(H,23,25)