2-[4-(thian-4-ylamino)phenoxy]ethanenitrile

Systemtic Name: 2-[4-(thian-4-ylamino)phenoxy]ethanenitrile Openeye Name: 2-[4-(tetrahydrothiopyran-4-ylamino)phenoxy]acetonitrile CAS Name: 2-[4-(4-thianylamino)phenoxy]acetonitrile IUPAC Name: 2-[4-(thian-4-ylamino)phenoxy]acetonitrile Traditional Name: 2-[4-(tetrahydrothiopyran-4-ylamino)phenoxy]acetonitrile Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=CC=C(C=C2)OCC#N

Isomeric SMILES

C1CSCCC1NC2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C13H16N2OS/c14-7-8-16-13-3-1-11(2-4-13)15-12-5-9-17-10-6-12/h1-4,12,15H,5-6,8-10H2