N-butyl-3-[(4-chlorophenyl)methyl]-6-diazenyl-5-octoxy-1,3-benzothiazol-2-imine

Systemtic Name: N-butyl-3-[(4-chlorophenyl)methyl]-6-diazenyl-5-octoxy-1,3-benzothiazol-2-imine Openeye Name: N-butyl-3-[(4-chlorophenyl)methyl]-6-diazenyl-5-octoxy-1,3-benzothiazol-2-imine CAS Name: N-butyl-3-[(4-chlorophenyl)methyl]-6-diazenyl-5-octoxy-1,3-benzothiazol-2-imine IUPAC Name: N-butyl-3-[(4-chlorophenyl)methyl]-6-diazenyl-5-octoxy-1,3-benzothiazol-2-imine Traditional Name: butyl-[3-(4-chlorobenzyl)-6-diazenyl-5-octoxy-1,3-benzothiazol-2-ylidene]amine Formula: C26H35ClN4OS MolecularWeight: 487.1003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1N=N)SC(=NCCCC)N2CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1N=N)SC(=NCCCC)N2CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H35ClN4OS/c1-3-5-7-8-9-10-16-32-24-18-23-25(17-22(24)30-28)33-26(29-15-6-4-2)31(23)19-20-11-13-21(27)14-12-20/h11-14,17-18,28H,3-10,15-16,19H2,1-2H3