2-[2-bromanyl-3,3-bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-enylidene]propanedinitrile

Systemtic Name: 2-[2-bromanyl-3,3-bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-enylidene]propanedinitrile Openeye Name: 2-[2-bromo-3,3-bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-enylidene]propanedinitrile CAS Name: 2-[2-bromo-3,3-bis(methylthio)-1-(4-nitrophenyl)prop-2-enylidene]propanedinitrile IUPAC Name: 2-[2-bromo-3,3-bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-enylidene]propanedinitrile Traditional Name: 2-[2-bromo-3,3-bis(methylthio)-1-(4-nitrophenyl)prop-2-enylidene]malononitrile Formula: C14H10BrN3O2S2 MolecularWeight: 396.2821

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C(=C(C#N)C#N)C1=CC=C(C=C1)[N+](=O)[O-])Br)SC

Isomeric SMILES

CSC(=C(C(=C(C#N)C#N)C1=CC=C(C=C1)[N+](=O)[O-])Br)SC

InChI

InChI=1S/C14H10BrN3O2S2/c1-21-14(22-2)13(15)12(10(7-16)8-17)9-3-5-11(6-4-9)18(19)20/h3-6H,1-2H3