3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]butanenitrile

Systemtic Name: 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]butanenitrile Openeye Name: 3-[2-(4-bromophenyl)thiazol-4-yl]butanenitrile CAS Name: 3-[2-(4-bromophenyl)-4-thiazolyl]butanenitrile IUPAC Name: 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]butanenitrile Traditional Name: 3-[2-(4-bromophenyl)thiazol-4-yl]butyronitrile Formula: C13H11BrN2S MolecularWeight: 307.20884

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C1=CSC(=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(CC#N)C1=CSC(=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H11BrN2S/c1-9(6-7-15)12-8-17-13(16-12)10-2-4-11(14)5-3-10/h2-5,8-9H,6H2,1H3