6-butyl-2-(2-decoxynaphthalen-1-yl)-1,3-benzothiazole

Systemtic Name: 6-butyl-2-(2-decoxynaphthalen-1-yl)-1,3-benzothiazole Openeye Name: 6-butyl-2-(2-decoxy-1-naphthyl)-1,3-benzothiazole CAS Name: 6-butyl-2-(2-decoxy-1-naphthalenyl)-1,3-benzothiazole IUPAC Name: 6-butyl-2-(2-decoxynaphthalen-1-yl)-1,3-benzothiazole Traditional Name: 6-butyl-2-(2-decoxy-1-naphthyl)-1,3-benzothiazole Formula: C31H39NOS MolecularWeight: 473.71246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C2=CC=CC=C2C=C1)C3=NC4=C(S3)C=C(C=C4)CCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C2=CC=CC=C2C=C1)C3=NC4=C(S3)C=C(C=C4)CCCC

InChI

InChI=1S/C31H39NOS/c1-3-5-7-8-9-10-11-14-22-33-28-21-19-25-16-12-13-17-26(25)30(28)31-32-27-20-18-24(15-6-4-2)23-29(27)34-31/h12-13,16-21,23H,3-11,14-15,22H2,1-2H3