3-phenylsulfanyl-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide

Systemtic Name: 3-phenylsulfanyl-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide Openeye Name: 3-phenylsulfanyl-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide CAS Name: 3-(phenylthio)-N-[3-[6-(1-pyrrolidinyl)-3-pyridazinyl]phenyl]propanamide IUPAC Name: 3-phenylsulfanyl-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide Traditional Name: 3-(phenylthio)-N-[3-(6-pyrrolidinopyridazin-3-yl)phenyl]propionamide Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS/c28-23(13-16-29-20-9-2-1-3-10-20)24-19-8-6-7-18(17-19)21-11-12-22(26-25-21)27-14-4-5-15-27/h1-3,6-12,17H,4-5,13-16H2,(H,24,28)