8-(4-chlorophenyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile

Systemtic Name: 8-(4-chlorophenyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile Openeye Name: 8-(4-chlorophenyl)-6-pyrrolidin-1-yl-isothiochromane-5-carbonitrile CAS Name: 8-(4-chlorophenyl)-6-(1-pyrrolidinyl)-3,4-dihydro-1H-2-benzothiopyran-5-carbonitrile IUPAC Name: 8-(4-chlorophenyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile Traditional Name: 8-(4-chlorophenyl)-6-pyrrolidino-isothiochroman-5-carbonitrile Formula: C20H19ClN2S MolecularWeight: 354.89626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C3=C(CSCC3)C(=C2)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C3=C(CSCC3)C(=C2)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C20H19ClN2S/c21-15-5-3-14(4-6-15)17-11-20(23-8-1-2-9-23)18(12-22)16-7-10-24-13-19(16)17/h3-6,11H,1-2,7-10,13H2