5-(4-hexylphenyl)-2-[2-[2-(4-isothiocyanatophenyl)pyrimidin-5-yl]ethyl]pyrimidine

Systemtic Name: 5-(4-hexylphenyl)-2-[2-[2-(4-isothiocyanatophenyl)pyrimidin-5-yl]ethyl]pyrimidine Openeye Name: 5-(4-hexylphenyl)-2-[2-[2-(4-isothiocyanatophenyl)pyrimidin-5-yl]ethyl]pyrimidine CAS Name: 5-(4-hexylphenyl)-2-[2-[2-(4-isothiocyanatophenyl)-5-pyrimidinyl]ethyl]pyrimidine IUPAC Name: 5-(4-hexylphenyl)-2-[2-[2-(4-isothiocyanatophenyl)pyrimidin-5-yl]ethyl]pyrimidine Traditional Name: 5-(4-hexylphenyl)-2-[2-[2-(4-isothiocyanatophenyl)pyrimidin-5-yl]ethyl]pyrimidine Formula: C29H29N5S MolecularWeight: 479.63906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)CCC3=CN=C(N=C3)C4=CC=C(C=C4)N=C=S

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)CCC3=CN=C(N=C3)C4=CC=C(C=C4)N=C=S

InChI

InChI=1S/C29H29N5S/c1-2-3-4-5-6-22-7-10-24(11-8-22)26-19-30-28(31-20-26)16-9-23-17-32-29(33-18-23)25-12-14-27(15-13-25)34-21-35/h7-8,10-15,17-20H,2-6,9,16H2,1H3