5-bromanyl-N-[(3,4-dichlorophenyl)methyl]-N-(1-isothiocyanatobutan-2-yl)pyridin-2-amine

Systemtic Name: 5-bromanyl-N-[(3,4-dichlorophenyl)methyl]-N-(1-isothiocyanatobutan-2-yl)pyridin-2-amine Openeye Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-[1-(isothiocyanatomethyl)propyl]pyridin-2-amine CAS Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-(1-isothiocyanatobutan-2-yl)-2-pyridinamine IUPAC Name: 5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-(1-isothiocyanatobutan-2-yl)pyridin-2-amine Traditional Name: (5-bromo-2-pyridyl)-(3,4-dichlorobenzyl)-[1-(isothiocyanatomethyl)propyl]amine Formula: C17H16BrCl2N3S MolecularWeight: 445.20404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN=C=S)N(CC1=CC(=C(C=C1)Cl)Cl)C2=NC=C(C=C2)Br

Isomeric SMILES

CCC(CN=C=S)N(CC1=CC(=C(C=C1)Cl)Cl)C2=NC=C(C=C2)Br

InChI

InChI=1S/C17H16BrCl2N3S/c1-2-14(9-21-11-24)23(17-6-4-13(18)8-22-17)10-12-3-5-15(19)16(20)7-12/h3-8,14H,2,9-10H2,1H3