5-(bromomethyl)-5-isothiocyanato-cyclohexa-1,3-diene

Systemtic Name: 5-(bromomethyl)-5-isothiocyanato-cyclohexa-1,3-diene Openeye Name: 5-(bromomethyl)-5-isothiocyanato-cyclohexa-1,3-diene CAS Name: 5-(bromomethyl)-5-isothiocyanatocyclohexa-1,3-diene IUPAC Name: 5-(bromomethyl)-5-isothiocyanatocyclohexa-1,3-diene Traditional Name: 5-(bromomethyl)-5-isothiocyanato-cyclohexa-1,3-diene Formula: C8H8BrNS MolecularWeight: 230.12482

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(CBr)N=C=S

Isomeric SMILES

C1C=CC=CC1(CBr)N=C=S

InChI

InChI=1S/C8H8BrNS/c9-6-8(10-7-11)4-2-1-3-5-8/h1-4H,5-6H2