N-tert-butyl-6-methylsulfanyl-5-[oxidanyl(phenyl)methyl]pyridazine-3-carbothioamide

Systemtic Name: N-tert-butyl-6-methylsulfanyl-5-[oxidanyl(phenyl)methyl]pyridazine-3-carbothioamide Openeye Name: N-tert-butyl-5-[hydroxy(phenyl)methyl]-6-methylsulfanyl-pyridazine-3-carbothioamide CAS Name: N-tert-butyl-5-[hydroxy(phenyl)methyl]-6-(methylthio)-3-pyridazinecarbothioamide IUPAC Name: N-tert-butyl-5-[hydroxy(phenyl)methyl]-6-methylsulfanylpyridazine-3-carbothioamide Traditional Name: N-tert-butyl-5-[hydroxy(phenyl)methyl]-6-(methylthio)pyridazine-3-carbothioamide Formula: C17H21N3OS2 MolecularWeight: 347.49814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)C1=NN=C(C(=C1)C(C2=CC=CC=C2)O)SC

Isomeric SMILES

CC(C)(C)NC(=S)C1=NN=C(C(=C1)C(C2=CC=CC=C2)O)SC

InChI

InChI=1S/C17H21N3OS2/c1-17(2,3)18-15(22)13-10-12(16(23-4)20-19-13)14(21)11-8-6-5-7-9-11/h5-10,14,21H,1-4H3,(H,18,22)