2-[(2-butyl-1-benzofuran-3-yl)-phenyl-methyl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[(2-butyl-1-benzofuran-3-yl)-phenyl-methyl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[(2-butylbenzofuran-3-yl)-phenyl-methyl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[(2-butyl-3-benzofuranyl)-phenylmethyl]thio]-1,3-benzothiazole IUPAC Name: 2-[(2-butyl-1-benzofuran-3-yl)-phenylmethyl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[(2-butylbenzofuran-3-yl)-phenyl-methyl]thio]-1,3-benzothiazole Formula: C26H23NOS2 MolecularWeight: 429.59692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC=CC=C3)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC=CC=C3)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H23NOS2/c1-2-3-15-22-24(19-13-7-9-16-21(19)28-22)25(18-11-5-4-6-12-18)30-26-27-20-14-8-10-17-23(20)29-26/h4-14,16-17,25H,2-3,15H2,1H3