4-[[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(6-chlorothiochroman-4-yl)amino]methyl]benzonitrile CAS Name: 4-[[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]methyl]benzonitrile IUPAC Name: 4-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]benzonitrile Traditional Name: 4-[[(6-chlorothiochroman-4-yl)amino]methyl]benzonitrile Formula: C17H15ClN2S MolecularWeight: 314.8324

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NCC3=CC=C(C=C3)C#N)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NCC3=CC=C(C=C3)C#N)C=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2S/c18-14-5-6-17-15(9-14)16(7-8-21-17)20-11-13-3-1-12(10-19)2-4-13/h1-6,9,16,20H,7-8,11H2