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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC3=CC=C(C=C3)CC#N

InChI

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