5-bromanyl-N-[(3,4-dichlorophenyl)methyl]-N-(5-isothiocyanatopentyl)pyridin-2-amine

Systemtic Name: 5-bromanyl-N-[(3,4-dichlorophenyl)methyl]-N-(5-isothiocyanatopentyl)pyridin-2-amine Openeye Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-(5-isothiocyanatopentyl)pyridin-2-amine CAS Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-(5-isothiocyanatopentyl)-2-pyridinamine IUPAC Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-(5-isothiocyanatopentyl)pyridin-2-amine Traditional Name: (5-bromo-2-pyridyl)-(3,4-dichlorobenzyl)-(5-isothiocyanatopentyl)amine Formula: C18H18BrCl2N3S MolecularWeight: 459.23062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN(CCCCCN=C=S)C2=NC=C(C=C2)Br)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CN(CCCCCN=C=S)C2=NC=C(C=C2)Br)Cl)Cl

InChI

InChI=1S/C18H18BrCl2N3S/c19-15-5-7-18(23-11-15)24(9-3-1-2-8-22-13-25)12-14-4-6-16(20)17(21)10-14/h4-7,10-11H,1-3,8-9,12H2