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

Systemtic Name: 5-(4-heptylphenyl)-2-(4-isothiocyanatophenyl)pyridine Openeye Name: 5-(4-heptylphenyl)-2-(4-isothiocyanatophenyl)pyridine CAS Name: 5-(4-heptylphenyl)-2-(4-isothiocyanatophenyl)pyridine IUPAC Name: 5-(4-heptylphenyl)-2-(4-isothiocyanatophenyl)pyridine Traditional Name: 5-(4-heptylphenyl)-2-(4-isothiocyanatophenyl)pyridine Formula: C25H26N2S MolecularWeight: 386.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CN=C(C=C2)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CN=C(C=C2)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C25H26N2S/c1-2-3-4-5-6-7-20-8-10-21(11-9-20)23-14-17-25(26-18-23)22-12-15-24(16-13-22)27-19-28/h8-18H,2-7H2,1H3