4-[(2-butoxyphenyl)methylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one

Systemtic Name: 4-[(2-butoxyphenyl)methylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one Openeye Name: 2-benzylsulfanyl-4-[(2-butoxyphenyl)methylene]thiazol-5-one CAS Name: 4-[(2-butoxyphenyl)methylidene]-2-(phenylmethylthio)-5-thiazolone IUPAC Name: 2-benzylsulfanyl-4-[(2-butoxyphenyl)methylidene]-1,3-thiazol-5-one Traditional Name: 2-(benzylthio)-4-(2-butoxybenzylidene)-2-thiazolin-5-one Formula: C21H21NO2S2 MolecularWeight: 383.52694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=C2C(=O)SC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC=C1C=C2C(=O)SC(=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO2S2/c1-2-3-13-24-19-12-8-7-11-17(19)14-18-20(23)26-21(22-18)25-15-16-9-5-4-6-10-16/h4-12,14H,2-3,13,15H2,1H3