2-(4-isothiocyanatophenyl)-5-(4-octylphenyl)pyridine

Systemtic Name: 2-(4-isothiocyanatophenyl)-5-(4-octylphenyl)pyridine Openeye Name: 2-(4-isothiocyanatophenyl)-5-(4-octylphenyl)pyridine CAS Name: 2-(4-isothiocyanatophenyl)-5-(4-octylphenyl)pyridine IUPAC Name: 2-(4-isothiocyanatophenyl)-5-(4-octylphenyl)pyridine Traditional Name: 2-(4-isothiocyanatophenyl)-5-(4-octylphenyl)pyridine Formula: C26H28N2S MolecularWeight: 400.57892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=C2)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=C2)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C26H28N2S/c1-2-3-4-5-6-7-8-21-9-11-22(12-10-21)24-15-18-26(27-19-24)23-13-16-25(17-14-23)28-20-29/h9-19H,2-8H2,1H3