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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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