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

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]propanenitrile Openeye Name: 3-[(6-chlorothiochroman-4-yl)amino]propanenitrile CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]propanenitrile IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanenitrile Traditional Name: 3-[(6-chlorothiochroman-4-yl)amino]propionitrile Formula: C12H13ClN2S MolecularWeight: 252.76302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NCCC#N)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NCCC#N)C=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN2S/c13-9-2-3-12-10(8-9)11(4-7-16-12)15-6-1-5-14/h2-3,8,11,15H,1,4,6-7H2