2-[2-(4-chlorophenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile

Systemtic Name: 2-[2-(4-chlorophenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile Openeye Name: 2-[2-(4-chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile CAS Name: 2-[2-[(4-chlorophenyl)-oxomethyl]-3,3-bis(methylthio)prop-2-enylidene]propanedinitrile IUPAC Name: 2-[2-(4-chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile Traditional Name: 2-[2-(4-chlorobenzoyl)-3,3-bis(methylthio)prop-2-enylidene]malononitrile Formula: C15H11ClN2OS2 MolecularWeight: 334.84364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN2OS2/c1-20-15(21-2)13(7-10(8-17)9-18)14(19)11-3-5-12(16)6-4-11/h3-7H,1-2H3