5-isothiocyanato-2-(phenylmethylsulfanyl)pyridine

Systemtic Name: 5-isothiocyanato-2-(phenylmethylsulfanyl)pyridine Openeye Name: 2-benzylsulfanyl-5-isothiocyanato-pyridine CAS Name: 5-isothiocyanato-2-(phenylmethylthio)pyridine IUPAC Name: 2-benzylsulfanyl-5-isothiocyanatopyridine Traditional Name: 2-(benzylthio)-5-isothiocyanato-pyridine Formula: C13H10N2S2 MolecularWeight: 258.3619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C=C2)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C=C2)N=C=S

InChI

InChI=1S/C13H10N2S2/c16-10-15-12-6-7-13(14-8-12)17-9-11-4-2-1-3-5-11/h1-8H,9H2