1-(phenylmethyl)-4-phenylsulfanyl-azocane

Systemtic Name: 1-(phenylmethyl)-4-phenylsulfanyl-azocane Openeye Name: 1-benzyl-4-phenylsulfanyl-azocane CAS Name: 1-(phenylmethyl)-4-(phenylthio)azocane IUPAC Name: 1-benzyl-4-phenylsulfanylazocane Traditional Name: 1-benzyl-4-(phenylthio)azocane Formula: C20H25NS MolecularWeight: 311.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CCC(C1)SC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(CCC(C1)SC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25NS/c1-3-9-18(10-4-1)17-21-15-8-7-13-20(14-16-21)22-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2