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

Systemtic Name: 5-bromanyl-N-[(3,4-dichlorophenyl)methyl]-N-(4-isothiocyanatobutyl)pyridin-2-amine Openeye Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-(4-isothiocyanatobutyl)pyridin-2-amine CAS Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-(4-isothiocyanatobutyl)-2-pyridinamine IUPAC Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-(4-isothiocyanatobutyl)pyridin-2-amine Traditional Name: (5-bromo-2-pyridyl)-(3,4-dichlorobenzyl)-(4-isothiocyanatobutyl)amine Formula: C17H16BrCl2N3S MolecularWeight: 445.20404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrCl2N3S/c18-14-4-6-17(22-10-14)23(8-2-1-7-21-12-24)11-13-3-5-15(19)16(20)9-13/h3-6,9-10H,1-2,7-8,11H2