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

Systemtic Name: 3-[4-[(7-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)sulfanylmethyl]phenyl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)sulfanylmethyl]benzoyl]benzonitrile CAS Name: 3-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)thio]methyl]phenyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)sulfanylmethyl]benzoyl]benzonitrile Traditional Name: 3-[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)thio]methyl]benzoyl]benzonitrile Formula: C25H21ClN2OS MolecularWeight: 432.96504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN2OS/c26-23-9-8-19-10-12-28-13-11-22(19)25(23)30-16-17-4-6-20(7-5-17)24(29)21-3-1-2-18(14-21)15-27/h1-9,14,28H,10-13,16H2