2-[4-(3,4-dihydro-1H-isothiochromen-4-ylamino)phenoxy]ethanenitrile

Systemtic Name: 2-[4-(3,4-dihydro-1H-isothiochromen-4-ylamino)phenoxy]ethanenitrile Openeye Name: 2-[4-(isothiochroman-4-ylamino)phenoxy]acetonitrile CAS Name: 2-[4-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)phenoxy]acetonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isothiochromen-4-ylamino)phenoxy]acetonitrile Traditional Name: 2-[4-(isothiochroman-4-ylamino)phenoxy]acetonitrile Formula: C17H16N2OS MolecularWeight: 296.38674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CS1)NC3=CC=C(C=C3)OCC#N

Isomeric SMILES

C1C(C2=CC=CC=C2CS1)NC3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C17H16N2OS/c18-9-10-20-15-7-5-14(6-8-15)19-17-12-21-11-13-3-1-2-4-16(13)17/h1-8,17,19H,10-12H2