(4Z)-2-tert-butyl-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one

Systemtic Name: (4Z)-2-tert-butyl-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one Openeye Name: (4Z)-2-tert-butyl-4-(phenylsulfanylmethylene)-1H-isoquinolin-3-one CAS Name: (4Z)-2-tert-butyl-4-[(phenylthio)methylidene]-1H-isoquinolin-3-one IUPAC Name: (4Z)-2-tert-butyl-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one Traditional Name: (4Z)-2-tert-butyl-4-[(phenylthio)methylene]-1H-isoquinolin-3-one Formula: C20H21NOS MolecularWeight: 323.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC2=CC=CC=C2C(=CSC3=CC=CC=C3)C1=O

Isomeric SMILES

CC(C)(C)N1CC2=CC=CC=C2/C(=C/SC3=CC=CC=C3)/C1=O

InChI

InChI=1S/C20H21NOS/c1-20(2,3)21-13-15-9-7-8-12-17(15)18(19(21)22)14-23-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3/b18-14-