N-(2-methoxy-5-methyl-phenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[6-(4-nitrophenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[6-(4-nitrophenyl)pyridazin-3-yl]thio]acetamide Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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