2-[4-(3,4-dihydro-1H-isothiochromen-4-ylamino)phenyl]ethanenitrile

Systemtic Name: 2-[4-(3,4-dihydro-1H-isothiochromen-4-ylamino)phenyl]ethanenitrile Openeye Name: 2-[4-(isothiochroman-4-ylamino)phenyl]acetonitrile CAS Name: 2-[4-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)phenyl]acetonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isothiochromen-4-ylamino)phenyl]acetonitrile Traditional Name: 2-[4-(isothiochroman-4-ylamino)phenyl]acetonitrile Formula: C17H16N2S MolecularWeight: 280.38734

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CS1)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1C(C2=CC=CC=C2CS1)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C17H16N2S/c18-10-9-13-5-7-15(8-6-13)19-17-12-20-11-14-3-1-2-4-16(14)17/h1-8,17,19H,9,11-12H2