[4-[(7-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)sulfanylmethyl]phenyl]-pyridin-3-yl-methanone

Systemtic Name: [4-[(7-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)sulfanylmethyl]phenyl]-pyridin-3-yl-methanone Openeye Name: [4-[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)sulfanylmethyl]phenyl]-(3-pyridyl)methanone CAS Name: [4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)thio]methyl]phenyl]-(3-pyridinyl)methanone IUPAC Name: [4-[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)sulfanylmethyl]phenyl]-pyridin-3-ylmethanone Traditional Name: [4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)thio]methyl]phenyl]-(3-pyridyl)methanone Formula: C23H21ClN2OS MolecularWeight: 408.94364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2SCC3=CC=C(C=C3)C(=O)C4=CN=CC=C4)Cl

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2SCC3=CC=C(C=C3)C(=O)C4=CN=CC=C4)Cl

InChI

InChI=1S/C23H21ClN2OS/c24-21-8-7-17-9-12-25-13-10-20(17)23(21)28-15-16-3-5-18(6-4-16)22(27)19-2-1-11-26-14-19/h1-8,11,14,25H,9-10,12-13,15H2