N-(6-dodecan-5-ylpyridazin-3-yl)-2,6-dimethoxy-benzenecarbothioamide

Systemtic Name: N-(6-dodecan-5-ylpyridazin-3-yl)-2,6-dimethoxy-benzenecarbothioamide Openeye Name: N-[6-(1-butyloctyl)pyridazin-3-yl]-2,6-dimethoxy-benzenecarbothioamide CAS Name: N-(6-dodecan-5-yl-3-pyridazinyl)-2,6-dimethoxybenzenecarbothioamide IUPAC Name: N-(6-dodecan-5-ylpyridazin-3-yl)-2,6-dimethoxybenzenecarbothioamide Traditional Name: N-[6-(1-butyloctyl)pyridazin-3-yl]-2,6-dimethoxy-thiobenzamide Formula: C25H37N3O2S MolecularWeight: 443.64518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCC)C1=NN=C(C=C1)NC(=S)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCCCCCCC(CCCC)C1=NN=C(C=C1)NC(=S)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C25H37N3O2S/c1-5-7-9-10-11-14-19(13-8-6-2)20-17-18-23(28-27-20)26-25(31)24-21(29-3)15-12-16-22(24)30-4/h12,15-19H,5-11,13-14H2,1-4H3,(H,26,28,31)