N-[(4-bromophenyl)methyl]-N-(3-isothiocyanatopropyl)pyridin-2-amine

Systemtic Name: N-[(4-bromophenyl)methyl]-N-(3-isothiocyanatopropyl)pyridin-2-amine Openeye Name: N-[(4-bromophenyl)methyl]-N-(3-isothiocyanatopropyl)pyridin-2-amine CAS Name: N-[(4-bromophenyl)methyl]-N-(3-isothiocyanatopropyl)-2-pyridinamine IUPAC Name: N-[(4-bromophenyl)methyl]-N-(3-isothiocyanatopropyl)pyridin-2-amine Traditional Name: (4-bromobenzyl)-(3-isothiocyanatopropyl)-(2-pyridyl)amine Formula: C16H16BrN3S MolecularWeight: 362.28734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCN=C=S)CC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=NC(=C1)N(CCCN=C=S)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H16BrN3S/c17-15-7-5-14(6-8-15)12-20(11-3-9-18-13-21)16-4-1-2-10-19-16/h1-2,4-8,10H,3,9,11-12H2