3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CSC2=CC=CC=C2C1NCC3=CC=CC(=C3)C#N

InChI

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