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

Systemtic Name: 2-[4-(3,4-dihydro-2H-thiochromen-4-ylamino)phenoxy]ethanenitrile Openeye Name: 2-[4-(thiochroman-4-ylamino)phenoxy]acetonitrile CAS Name: 2-[4-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)phenoxy]acetonitrile IUPAC Name: 2-[4-(3,4-dihydro-2H-thiochromen-4-ylamino)phenoxy]acetonitrile Traditional Name: 2-[4-(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=C(C=C3)OCC#N

Isomeric SMILES

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

InChI

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