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

Systemtic Name: N-(4-butylphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[6-(4-nitrophenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[6-(4-nitrophenyl)pyridazin-3-yl]thio]acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-2-3-4-16-5-9-18(10-6-16)23-21(27)15-30-22-14-13-20(24-25-22)17-7-11-19(12-8-17)26(28)29/h5-14H,2-4,15H2,1H3,(H,23,27)