5-bromanyl-1,3-diethyl-2-isothiocyanato-benzene

Systemtic Name: 5-bromanyl-1,3-diethyl-2-isothiocyanato-benzene Openeye Name: 5-bromo-1,3-diethyl-2-isothiocyanato-benzene CAS Name: 5-bromo-1,3-diethyl-2-isothiocyanatobenzene IUPAC Name: 5-bromo-1,3-diethyl-2-isothiocyanatobenzene Traditional Name: 5-bromo-1,3-diethyl-2-isothiocyanato-benzene Formula: C11H12BrNS MolecularWeight: 270.18868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N=C=S)CC)Br

Isomeric SMILES

CCC1=CC(=CC(=C1N=C=S)CC)Br

InChI

InChI=1S/C11H12BrNS/c1-3-8-5-10(12)6-9(4-2)11(8)13-7-14/h5-6H,3-4H2,1-2H3