2-methylsulfanyl-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide

Systemtic Name: 2-methylsulfanyl-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide Openeye Name: 2-methylsulfanyl-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide CAS Name: 2-(methylthio)-N-[3-[6-(1-pyrrolidinyl)-3-pyridazinyl]phenyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide Traditional Name: 2-(methylthio)-N-[3-(6-pyrrolidinopyridazin-3-yl)phenyl]benzamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCC4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCC4

InChI

InChI=1S/C22H22N4OS/c1-28-20-10-3-2-9-18(20)22(27)23-17-8-6-7-16(15-17)19-11-12-21(25-24-19)26-13-4-5-14-26/h2-3,6-12,15H,4-5,13-14H2,1H3,(H,23,27)