2-(1,3-benzodioxol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxo-butanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[4-(methylthio)phenyl]-4-oxobutanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxobutanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-keto-4-[4-(methylthio)phenyl]butyronitrile Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H15NO3S/c1-23-15-5-2-12(3-6-15)16(20)8-14(10-19)13-4-7-17-18(9-13)22-11-21-17/h2-7,9,14H,8,11H2,1H3