2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[6-(3-nitrophenyl)-3-pyridazinyl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[[6-(3-nitrophenyl)pyridazin-3-yl]thio]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-13-9-14(2)21(15(3)10-13)22-19(26)12-29-20-8-7-18(23-24-20)16-5-4-6-17(11-16)25(27)28/h4-11H,12H2,1-3H3,(H,22,26)