2-methyl-N-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-sulfanyl-butanamide

Systemtic Name: 2-methyl-N-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-sulfanyl-butanamide Openeye Name: 2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-sulfanyl-butanamide CAS Name: 2-mercapto-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide IUPAC Name: 2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-sulfanylbutanamide Traditional Name: N-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-mercapto-2-methyl-butyramide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)CC2C)S

Isomeric SMILES

CCC(C)(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)CC2C)S

InChI

InChI=1S/C16H21N3O2S/c1-4-16(3,22)15(21)17-12-7-5-11(6-8-12)14-10(2)9-13(20)18-19-14/h5-8,10,22H,4,9H2,1-3H3,(H,17,21)(H,18,20)