N-[2-(pyridazin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-[2-(pyridazin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[2-(pyridazin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[2-(3-pyridazinylmethylthio)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[2-(pyridazin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[2-(pyridazin-3-ylmethylthio)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3SCC4=NN=CC=C4

Isomeric SMILES

C1CNC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3SCC4=NN=CC=C4

InChI

InChI=1S/C22H20N4OS/c27-22(17-11-13-23-19-8-2-1-6-16(19)14-17)25-20-9-3-4-10-21(20)28-15-18-7-5-12-24-26-18/h1-10,12,14,23H,11,13,15H2,(H,25,27)