3-(3-bromanylpropylsulfanyl)-5-phenyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-(3-bromanylpropylsulfanyl)-5-phenyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-(3-bromopropylsulfanyl)-5-phenyl-isothiazole-4-carbonitrile CAS Name: 3-(3-bromopropylthio)-5-phenyl-4-isothiazolecarbonitrile IUPAC Name: 3-(3-bromopropylsulfanyl)-5-phenyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-(3-bromopropylthio)-5-phenyl-isothiazole-4-carbonitrile Formula: C13H11BrN2S2 MolecularWeight: 339.27384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NS2)SCCCBr)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NS2)SCCCBr)C#N

InChI

InChI=1S/C13H11BrN2S2/c14-7-4-8-17-13-11(9-15)12(18-16-13)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2