3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanenitrile

Systemtic Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanenitrile Openeye Name: 3-(isothiochroman-4-ylamino)propanenitrile CAS Name: 3-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)propanenitrile IUPAC Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanenitrile Traditional Name: 3-(isothiochroman-4-ylamino)propionitrile Formula: C12H14N2S MolecularWeight: 218.31796

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CS1)NCCC#N

Isomeric SMILES

C1C(C2=CC=CC=C2CS1)NCCC#N

InChI

InChI=1S/C12H14N2S/c13-6-3-7-14-12-9-15-8-10-4-1-2-5-11(10)12/h1-2,4-5,12,14H,3,7-9H2