N-[6-[4-oxidanylidene-4-(quinolin-3-ylamino)butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[4-oxidanylidene-4-(quinolin-3-ylamino)butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-oxo-4-(3-quinolylamino)butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide CAS Name: N-[6-[[4-oxo-4-(3-quinolinylamino)butyl]thio]-3-pyridazinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-oxo-4-(quinolin-3-ylamino)butyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[[4-keto-4-(3-quinolylamino)butyl]thio]pyridazin-3-yl]thiophene-2-carboxamide Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)NC(=O)CCCSC3=NN=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)NC(=O)CCCSC3=NN=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H19N5O2S2/c28-20(24-16-13-15-5-1-2-6-17(15)23-14-16)8-4-12-31-21-10-9-19(26-27-21)25-22(29)18-7-3-11-30-18/h1-3,5-7,9-11,13-14H,4,8,12H2,(H,24,28)(H,25,26,29)