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

Systemtic Name: 4-[2-(3-bromophenyl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(3-bromophenyl)thiazol-4-yl]benzonitrile CAS Name: 4-[2-(3-bromophenyl)-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-(3-bromophenyl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-(3-bromophenyl)thiazol-4-yl]benzonitrile Formula: C16H9BrN2S MolecularWeight: 341.22506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC(=CS2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC(=CS2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H9BrN2S/c17-14-3-1-2-13(8-14)16-19-15(10-20-16)12-6-4-11(9-18)5-7-12/h1-8,10H