4-[1-(3,4-dihydro-1H-isothiochromen-4-ylamino)ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-(3,4-dihydro-1H-isothiochromen-4-ylamino)ethyl]benzenecarbonitrile Openeye Name: 4-[1-(isothiochroman-4-ylamino)ethyl]benzonitrile CAS Name: 4-[1-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)ethyl]benzonitrile IUPAC Name: 4-[1-(3,4-dihydro-1H-isothiochromen-4-ylamino)ethyl]benzonitrile Traditional Name: 4-[1-(isothiochroman-4-ylamino)ethyl]benzonitrile Formula: C18H18N2S MolecularWeight: 294.41392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NC2CSCC3=CC=CC=C23

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NC2CSCC3=CC=CC=C23

InChI

InChI=1S/C18H18N2S/c1-13(15-8-6-14(10-19)7-9-15)20-18-12-21-11-16-4-2-3-5-17(16)18/h2-9,13,18,20H,11-12H2,1H3