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

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N4O3S2/c1-13-11-14(2)22-20(21-13)29-18-7-3-15(4-8-18)23-19(25)12-28-17-9-5-16(6-10-17)24(26)27/h3-11H,12H2,1-2H3,(H,23,25)