2-[(4-bromophenyl)methylsulfanyl]-5-isothiocyanato-pyridine

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-5-isothiocyanato-pyridine Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-5-isothiocyanato-pyridine CAS Name: 2-[(4-bromophenyl)methylthio]-5-isothiocyanatopyridine IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-5-isothiocyanatopyridine Traditional Name: 2-[(4-bromobenzyl)thio]-5-isothiocyanato-pyridine Formula: C13H9BrN2S2 MolecularWeight: 337.25796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C=C2)N=C=S)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C=C2)N=C=S)Br

InChI

InChI=1S/C13H9BrN2S2/c14-11-3-1-10(2-4-11)8-18-13-6-5-12(7-15-13)16-9-17/h1-7H,8H2