4-[[2-(azepan-1-ylcarbonyl)phenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(azepan-1-ylcarbonyl)phenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-(azepane-1-carbonyl)phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[1-azepanyl(oxo)methyl]phenyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-(azepane-1-carbonyl)phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-(azepane-1-carbonyl)phenyl]thio]methyl]benzonitrile Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N2OS/c22-15-17-9-11-18(12-10-17)16-25-20-8-4-3-7-19(20)21(24)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14,16H2