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

Systemtic Name: 5-bromanyl-N-[(3,4-dichlorophenyl)methyl]-N-(3-isothiocyanatopropyl)pyridin-2-amine Openeye Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-(3-isothiocyanatopropyl)pyridin-2-amine CAS Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-(3-isothiocyanatopropyl)-2-pyridinamine IUPAC Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-(3-isothiocyanatopropyl)pyridin-2-amine Traditional Name: (5-bromo-2-pyridyl)-(3,4-dichlorobenzyl)-(3-isothiocyanatopropyl)amine Formula: C16H14BrCl2N3S MolecularWeight: 431.17746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrCl2N3S/c17-13-3-5-16(21-9-13)22(7-1-6-20-11-23)10-12-2-4-14(18)15(19)8-12/h2-5,8-9H,1,6-7,10H2