3-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(5-chloro-3-methyl-benzothiophen-2-yl)-3-oxo-propanenitrile CAS Name: 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile IUPAC Name: 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-3-oxopropanenitrile Traditional Name: 3-(5-chloro-3-methyl-benzothiophen-2-yl)-3-keto-propionitrile Formula: C12H8ClNOS MolecularWeight: 249.71602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)CC#N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)CC#N

InChI

InChI=1S/C12H8ClNOS/c1-7-9-6-8(13)2-3-11(9)16-12(7)10(15)4-5-14/h2-3,6H,4H2,1H3