2-(bromomethyl)-1-isothiocyanato-4-methoxy-benzene

Systemtic Name: 2-(bromomethyl)-1-isothiocyanato-4-methoxy-benzene Openeye Name: 2-(bromomethyl)-1-isothiocyanato-4-methoxy-benzene CAS Name: 2-(bromomethyl)-1-isothiocyanato-4-methoxybenzene IUPAC Name: 2-(bromomethyl)-1-isothiocyanato-4-methoxybenzene Traditional Name: 2-(bromomethyl)-1-isothiocyanato-4-methoxy-benzene Formula: C9H8BrNOS MolecularWeight: 258.13492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N=C=S)CBr

Isomeric SMILES

COC1=CC(=C(C=C1)N=C=S)CBr

InChI

InChI=1S/C9H8BrNOS/c1-12-8-2-3-9(11-6-13)7(4-8)5-10/h2-4H,5H2,1H3