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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)CC2)S

Isomeric SMILES

CCC(CC)(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)CC2)S

InChI

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