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

Systemtic Name: 3-[[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(6-chlorothiochroman-4-yl)amino]methyl]benzonitrile CAS Name: 3-[[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]methyl]benzonitrile IUPAC Name: 3-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]benzonitrile Traditional Name: 3-[[(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=CC(=C3)C#N)C=C(C=C2)Cl

Isomeric SMILES

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

InChI

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