2-methylsulfanyl-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]pyridine-3-carboxamide Traditional Name: N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-2-(methylthio)nicotinamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H19N5O2S/c1-26-18-14(8-4-9-21-18)16(24)20-11-5-10-19-15-12-6-2-3-7-13(12)17(25)23-22-15/h2-4,6-9H,5,10-11H2,1H3,(H,19,22)(H,20,24)(H,23,25)