6-hexyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]-1,3-benzothiazole

Systemtic Name: 6-hexyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]-1,3-benzothiazole Openeye Name: 6-hexyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]-1,3-benzothiazole CAS Name: 6-hexyl-2-[4-(5-octyl-2-pyrimidinyl)phenyl]-1,3-benzothiazole IUPAC Name: 6-hexyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]-1,3-benzothiazole Traditional Name: 6-hexyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]-1,3-benzothiazole Formula: C31H39N3S MolecularWeight: 485.72646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)CCCCCC

InChI

InChI=1S/C31H39N3S/c1-3-5-7-9-10-12-14-25-22-32-30(33-23-25)26-16-18-27(19-17-26)31-34-28-20-15-24(21-29(28)35-31)13-11-8-6-4-2/h15-23H,3-14H2,1-2H3