4-phenyl-1-(thian-4-yl)azepane

Systemtic Name: 4-phenyl-1-(thian-4-yl)azepane Openeye Name: 4-phenyl-1-tetrahydrothiopyran-4-yl-azepane CAS Name: 4-phenyl-1-(4-thianyl)azepane IUPAC Name: 4-phenyl-1-(thian-4-yl)azepane Traditional Name: 4-phenyl-1-tetrahydrothiopyran-4-yl-azepane Formula: C17H25NS MolecularWeight: 275.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C2CCSCC2)C3=CC=CC=C3

Isomeric SMILES

C1CC(CCN(C1)C2CCSCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H25NS/c1-2-5-15(6-3-1)16-7-4-11-18(12-8-16)17-9-13-19-14-10-17/h1-3,5-6,16-17H,4,7-14H2