2-(2-bromanylbenzo[e][1]benzothiol-1-yl)ethanenitrile

Systemtic Name: 2-(2-bromanylbenzo[e][1]benzothiol-1-yl)ethanenitrile Openeye Name: 2-(2-bromobenzo[e]benzothiophen-1-yl)acetonitrile CAS Name: 2-(2-bromo-1-benzo[e][1]benzothiolyl)acetonitrile IUPAC Name: 2-(2-bromobenzo[e][1]benzothiol-1-yl)acetonitrile Traditional Name: 2-(2-bromobenzo[e]benzothiophen-1-yl)acetonitrile Formula: C14H8BrNS MolecularWeight: 302.18902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=C(S3)Br)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=C(S3)Br)CC#N

InChI

InChI=1S/C14H8BrNS/c15-14-11(7-8-16)13-10-4-2-1-3-9(10)5-6-12(13)17-14/h1-6H,7H2