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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)N(C1=CC=C(C=C1)C2=NNC(=O)CC2)S

Isomeric SMILES

CCC(C)(C)C(=O)N(C1=CC=C(C=C1)C2=NNC(=O)CC2)S

InChI

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