2-[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile

Systemtic Name: 2-[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Openeye Name: 2-[(allylamino)-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-methylene]propanedinitrile CAS Name: 2-[[[2-(4-bromophenyl)-2-oxoethyl]thio]-(prop-2-enylamino)methylidene]propanedinitrile IUPAC Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Traditional Name: 2-[(allylamino)-[[2-(4-bromophenyl)-2-keto-ethyl]thio]methylene]malononitrile Formula: C15H12BrN3OS MolecularWeight: 362.24428

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=C(C#N)C#N)SCC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

C=CCNC(=C(C#N)C#N)SCC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C15H12BrN3OS/c1-2-7-19-15(12(8-17)9-18)21-10-14(20)11-3-5-13(16)6-4-11/h2-6,19H,1,7,10H2