5-isothiocyanato-2-(6-phenylhexylsulfanyl)pyridine

Systemtic Name: 5-isothiocyanato-2-(6-phenylhexylsulfanyl)pyridine Openeye Name: 5-isothiocyanato-2-(6-phenylhexylsulfanyl)pyridine CAS Name: 5-isothiocyanato-2-(6-phenylhexylthio)pyridine IUPAC Name: 5-isothiocyanato-2-(6-phenylhexylsulfanyl)pyridine Traditional Name: 5-isothiocyanato-2-(6-phenylhexylthio)pyridine Formula: C18H20N2S2 MolecularWeight: 328.4948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCSC2=NC=C(C=C2)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCSC2=NC=C(C=C2)N=C=S

InChI

InChI=1S/C18H20N2S2/c21-15-20-17-11-12-18(19-14-17)22-13-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-12,14H,1-2,4,7-8,13H2