N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N4O3S2/c1-13-12-14(2)23-21(22-13)30-19-8-4-16(5-9-19)24-20(26)15(3)29-18-10-6-17(7-11-18)25(27)28/h4-12,15H,1-3H3,(H,24,26)