(E)-6-methyl-3-methylsulfanyl-5-oxidanylidene-2-thiophen-3-yl-hept-3-enenitrile

Systemtic Name: (E)-6-methyl-3-methylsulfanyl-5-oxidanylidene-2-thiophen-3-yl-hept-3-enenitrile Openeye Name: (E)-6-methyl-3-methylsulfanyl-5-oxo-2-(3-thienyl)hept-3-enenitrile CAS Name: (E)-6-methyl-3-(methylthio)-5-oxo-2-(3-thiophenyl)-3-heptenenitrile IUPAC Name: (E)-6-methyl-3-methylsulfanyl-5-oxo-2-thiophen-3-ylhept-3-enenitrile Traditional Name: (E)-5-keto-6-methyl-3-(methylthio)-2-(3-thienyl)hept-3-enenitrile Formula: C13H15NOS2 MolecularWeight: 265.3943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C=C(C(C#N)C1=CSC=C1)SC

Isomeric SMILES

CC(C)C(=O)/C=C(\C(C#N)C1=CSC=C1)/SC

InChI

InChI=1S/C13H15NOS2/c1-9(2)12(15)6-13(16-3)11(7-14)10-4-5-17-8-10/h4-6,8-9,11H,1-3H3/b13-6+