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

Systemtic Name: 3-(4-bromanylbutylsulfanyl)-5-phenyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-(4-bromobutylsulfanyl)-5-phenyl-isothiazole-4-carbonitrile CAS Name: 3-(4-bromobutylthio)-5-phenyl-4-isothiazolecarbonitrile IUPAC Name: 3-(4-bromobutylsulfanyl)-5-phenyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-(4-bromobutylthio)-5-phenyl-isothiazole-4-carbonitrile Formula: C14H13BrN2S2 MolecularWeight: 353.30042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2S2/c15-8-4-5-9-18-14-12(10-16)13(19-17-14)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2