4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-oxo-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)C(C#N)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)C(C#N)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S2/c22-11-16(21-23-17(12-28-21)14-4-2-1-3-5-14)18(24)13-27-15-6-7-19-20(10-15)26-9-8-25-19/h1-7,10,12,16H,8-9,13H2