4-(1-benzothiophen-2-yl)-2-methyl-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(1-benzothiophen-2-yl)-2-methyl-4-oxidanylidene-butanenitrile Openeye Name: 4-(benzothiophen-2-yl)-2-methyl-4-oxo-butanenitrile CAS Name: 4-(1-benzothiophen-2-yl)-2-methyl-4-oxobutanenitrile IUPAC Name: 4-(1-benzothiophen-2-yl)-2-methyl-4-oxobutanenitrile Traditional Name: 4-(benzothiophen-2-yl)-4-keto-2-methyl-butyronitrile Formula: C13H11NOS MolecularWeight: 229.29754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC2=CC=CC=C2S1)C#N

Isomeric SMILES

CC(CC(=O)C1=CC2=CC=CC=C2S1)C#N

InChI

InChI=1S/C13H11NOS/c1-9(8-14)6-11(15)13-7-10-4-2-3-5-12(10)16-13/h2-5,7,9H,6H2,1H3