4,6-bis(chloranyl)-2-(4-octylphenyl)sulfanyl-pyrimidine

Systemtic Name: 4,6-bis(chloranyl)-2-(4-octylphenyl)sulfanyl-pyrimidine Openeye Name: 4,6-dichloro-2-(4-octylphenyl)sulfanyl-pyrimidine CAS Name: 4,6-dichloro-2-[(4-octylphenyl)thio]pyrimidine IUPAC Name: 4,6-dichloro-2-(4-octylphenyl)sulfanylpyrimidine Traditional Name: 4,6-dichloro-2-[(4-octylphenyl)thio]pyrimidine Formula: C36H44Cl4N4S2 MolecularWeight: 738.70336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)SC2=NC(=CC(=N2)Cl)Cl.CCCCCCCCC1=CC=C(C=C1)SC2=NC(=CC(=N2)Cl)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)SC2=NC(=CC(=N2)Cl)Cl.CCCCCCCCC1=CC=C(C=C1)SC2=NC(=CC(=N2)Cl)Cl

InChI

InChI=1S/2C18H22Cl2N2S/c2*1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)23-18-21-16(19)13-17(20)22-18/h2*9-13H,2-8H2,1H3