(4E)-6-(aminomethyl)-4-[(4-methylphenyl)-sulfanyl-methylidene]-2,3-dihydro-1H-inden-5-one

Systemtic Name: (4E)-6-(aminomethyl)-4-[(4-methylphenyl)-sulfanyl-methylidene]-2,3-dihydro-1H-inden-5-one Openeye Name: (4E)-6-(aminomethyl)-4-[p-tolyl(sulfanyl)methylene]-2,3-dihydro-1H-inden-5-one CAS Name: (4E)-6-(aminomethyl)-4-[mercapto-(4-methylphenyl)methylidene]-2,3-dihydro-1H-inden-5-one IUPAC Name: (4E)-6-(aminomethyl)-4-[(4-methylphenyl)-sulfanylmethylidene]-2,3-dihydro-1H-inden-5-one Traditional Name: (4E)-6-(aminomethyl)-4-[mercapto(p-tolyl)methylene]-2,3-dihydro-1H-inden-5-one Formula: C18H19NOS MolecularWeight: 297.41456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C3=C(CCC3)C=C(C2=O)CN)S

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\2/C3=C(CCC3)C=C(C2=O)CN)/S

InChI

InChI=1S/C18H19NOS/c1-11-5-7-12(8-6-11)18(21)16-15-4-2-3-13(15)9-14(10-19)17(16)20/h5-9,21H,2-4,10,19H2,1H3/b18-16+