3,5-bis(bromanyl)-4-[1-(isothiocyanatomethyl)cyclobutyl]benzenecarbonitrile

Systemtic Name: 3,5-bis(bromanyl)-4-[1-(isothiocyanatomethyl)cyclobutyl]benzenecarbonitrile Openeye Name: 3,5-dibromo-4-[1-(isothiocyanatomethyl)cyclobutyl]benzonitrile CAS Name: 3,5-dibromo-4-[1-(isothiocyanatomethyl)cyclobutyl]benzonitrile IUPAC Name: 3,5-dibromo-4-[1-(isothiocyanatomethyl)cyclobutyl]benzonitrile Traditional Name: 3,5-dibromo-4-[1-(isothiocyanatomethyl)cyclobutyl]benzonitrile Formula: C13H10Br2N2S MolecularWeight: 386.1049

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(CN=C=S)C2=C(C=C(C=C2Br)C#N)Br

Isomeric SMILES

C1CC(C1)(CN=C=S)C2=C(C=C(C=C2Br)C#N)Br

InChI

InChI=1S/C13H10Br2N2S/c14-10-4-9(6-16)5-11(15)12(10)13(2-1-3-13)7-17-8-18/h4-5H,1-3,7H2