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

Systemtic Name: 4-[(5-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-propyl-amino]butanenitrile Openeye Name: 4-[(5-methoxythiochroman-3-yl)-propyl-amino]butanenitrile CAS Name: 4-[(5-methoxy-3,4-dihydro-2H-1-benzothiopyran-3-yl)-propylamino]butanenitrile IUPAC Name: 4-[(5-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-propylamino]butanenitrile Traditional Name: 4-[(5-methoxythiochroman-3-yl)-propyl-amino]butyronitrile Formula: C17H24N2OS MolecularWeight: 304.45026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2OS/c1-3-10-19(11-5-4-9-18)14-12-15-16(20-2)7-6-8-17(15)21-13-14/h6-8,14H,3-5,10-13H2,1-2H3