N-[6-[4-oxidanylidene-4-(pyridin-2-ylmethylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[6-[4-oxidanylidene-4-(pyridin-2-ylmethylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide Openeye Name: N-[6-[4-oxo-4-(2-pyridylmethylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide CAS Name: N-[6-[[4-oxo-4-(2-pyridinylmethylamino)butyl]thio]-3-pyridazinyl]cyclopropanecarboxamide IUPAC Name: N-[6-[4-oxo-4-(pyridin-2-ylmethylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide Traditional Name: N-[6-[[4-keto-4-(2-pyridylmethylamino)butyl]thio]pyridazin-3-yl]cyclopropanecarboxamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NN=C(C=C2)SCCCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1CC1C(=O)NC2=NN=C(C=C2)SCCCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C18H21N5O2S/c24-16(20-12-14-4-1-2-10-19-14)5-3-11-26-17-9-8-15(22-23-17)21-18(25)13-6-7-13/h1-2,4,8-10,13H,3,5-7,11-12H2,(H,20,24)(H,21,22,25)