2-(2,5-dimethylphenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enenitrile

Systemtic Name: 2-(2,5-dimethylphenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enenitrile Openeye Name: 2-(2,5-dimethylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenenitrile IUPAC Name: 2-(2,5-dimethylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile Traditional Name: 2-(2,5-dimethylbenzoyl)-3,3-bis(methylthio)acrylonitrile Formula: C14H15NOS2 MolecularWeight: 277.405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(=C(SC)SC)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(=C(SC)SC)C#N

InChI

InChI=1S/C14H15NOS2/c1-9-5-6-10(2)11(7-9)13(16)12(8-15)14(17-3)18-4/h5-7H,1-4H3