4,7-bis(5-bromanyl-4-hexyl-thiophen-2-yl)-2,1,3-benzothiadiazole

Systemtic Name: 4,7-bis(5-bromanyl-4-hexyl-thiophen-2-yl)-2,1,3-benzothiadiazole Openeye Name: 4,7-bis(5-bromo-4-hexyl-2-thienyl)-2,1,3-benzothiadiazole CAS Name: 4,7-bis(5-bromo-4-hexyl-2-thiophenyl)-2,1,3-benzothiadiazole IUPAC Name: 4,7-bis(5-bromo-4-hexylthiophen-2-yl)-2,1,3-benzothiadiazole Traditional Name: 4,7-bis(5-bromo-4-hexyl-2-thienyl)piazthiole Formula: C26H30Br2N2S3 MolecularWeight: 626.5328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCC)Br

Isomeric SMILES

CCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCC)Br

InChI

InChI=1S/C26H30Br2N2S3/c1-3-5-7-9-11-17-15-21(31-25(17)27)19-13-14-20(24-23(19)29-33-30-24)22-16-18(26(28)32-22)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3