2-[(5-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-propyl-amino]ethanenitrile

Systemtic Name: 2-[(5-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-propyl-amino]ethanenitrile Openeye Name: 2-[(5-methoxythiochroman-3-yl)-propyl-amino]acetonitrile CAS Name: 2-[(5-methoxy-3,4-dihydro-2H-1-benzothiopyran-3-yl)-propylamino]acetonitrile IUPAC Name: 2-[(5-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-propylamino]acetonitrile Traditional Name: 2-[(5-methoxythiochroman-3-yl)-propyl-amino]acetonitrile Formula: C15H20N2OS MolecularWeight: 276.3971

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC#N)C1CC2=C(C=CC=C2SC1)OC

Isomeric SMILES

CCCN(CC#N)C1CC2=C(C=CC=C2SC1)OC

InChI

InChI=1S/C15H20N2OS/c1-3-8-17(9-7-16)12-10-13-14(18-2)5-4-6-15(13)19-11-12/h4-6,12H,3,8-11H2,1-2H3