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

Systemtic Name: 8-(4-methylphenyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile Openeye Name: 8-(p-tolyl)-6-pyrrolidin-1-yl-isothiochromane-5-carbonitrile CAS Name: 8-(4-methylphenyl)-6-(1-pyrrolidinyl)-3,4-dihydro-1H-2-benzothiopyran-5-carbonitrile IUPAC Name: 8-(4-methylphenyl)-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile Traditional Name: 8-(p-tolyl)-6-pyrrolidino-isothiochroman-5-carbonitrile Formula: C21H22N2S MolecularWeight: 334.47778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C3=C2CSCC3)C#N)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C3=C2CSCC3)C#N)N4CCCC4

InChI

InChI=1S/C21H22N2S/c1-15-4-6-16(7-5-15)18-12-21(23-9-2-3-10-23)19(13-22)17-8-11-24-14-20(17)18/h4-7,12H,2-3,8-11,14H2,1H3