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

Systemtic Name: 3-(2-bromoethylsulfanyl)-5-phenyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-(2-bromoethylsulfanyl)-5-phenyl-isothiazole-4-carbonitrile CAS Name: 3-(2-bromoethylthio)-5-phenyl-4-isothiazolecarbonitrile IUPAC Name: 3-(2-bromoethylsulfanyl)-5-phenyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-(2-bromoethylthio)-5-phenyl-isothiazole-4-carbonitrile Formula: C12H9BrN2S2 MolecularWeight: 325.24726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrN2S2/c13-6-7-16-12-10(8-14)11(17-15-12)9-4-2-1-3-5-9/h1-5H,6-7H2