2-[(3-bromophenyl)methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Openeye Name: 2-[(allylamino)-[(3-bromophenyl)methylsulfanyl]methylene]propanedinitrile CAS Name: 2-[[(3-bromophenyl)methylthio]-(prop-2-enylamino)methylidene]propanedinitrile IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Traditional Name: 2-[(allylamino)-[(3-bromobenzyl)thio]methylene]malononitrile Formula: C14H12BrN3S MolecularWeight: 334.23418

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=C(C#N)C#N)SCC1=CC(=CC=C1)Br

Isomeric SMILES

C=CCNC(=C(C#N)C#N)SCC1=CC(=CC=C1)Br

InChI

InChI=1S/C14H12BrN3S/c1-2-6-18-14(12(8-16)9-17)19-10-11-4-3-5-13(15)7-11/h2-5,7,18H,1,6,10H2