sodium (E)-3-[(4-bromophenyl)amino]-2-cyano-1-methylsulfanyl-3-oxidanylidene-prop-1-ene-1-thiolate

Systemtic Name: sodium (E)-3-[(4-bromophenyl)amino]-2-cyano-1-methylsulfanyl-3-oxidanylidene-prop-1-ene-1-thiolate Openeye Name: sodium (E)-3-(4-bromoanilino)-2-cyano-1-methylsulfanyl-3-oxo-prop-1-ene-1-thiolate CAS Name: sodium (E)-3-(4-bromoanilino)-2-cyano-1-(methylthio)-3-oxo-1-propene-1-thiolate IUPAC Name: sodium (E)-3-(4-bromoanilino)-2-cyano-1-methylsulfanyl-3-oxoprop-1-ene-1-thiolate Traditional Name: sodium (E)-3-(4-bromoanilino)-2-cyano-3-keto-1-(methylthio)prop-1-ene-1-thiolate Formula: C11H8BrN2NaOS2 MolecularWeight: 351.21779

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)NC1=CC=C(C=C1)Br)[S-].[Na+]

Isomeric SMILES

CS/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)Br)/[S-].[Na+]

InChI

InChI=1S/C11H9BrN2OS2.Na/c1-17-11(16)9(6-13)10(15)14-8-4-2-7(12)3-5-8;/h2-5,16H,1H3,(H,14,15);/q;+1/p-1/b11-9+;