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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC3=CC(=CC=C3)OCC#N

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC3=CC(=CC=C3)OCC#N

InChI

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