N-butyl-4-chloranyl-6-diazenyl-7-octoxy-3-(phenylmethyl)-1,3-benzothiazol-2-imine

Systemtic Name: N-butyl-4-chloranyl-6-diazenyl-7-octoxy-3-(phenylmethyl)-1,3-benzothiazol-2-imine Openeye Name: 3-benzyl-N-butyl-4-chloro-6-diazenyl-7-octoxy-1,3-benzothiazol-2-imine CAS Name: N-butyl-4-chloro-6-diazenyl-7-octoxy-3-(phenylmethyl)-1,3-benzothiazol-2-imine IUPAC Name: 3-benzyl-N-butyl-4-chloro-6-diazenyl-7-octoxy-1,3-benzothiazol-2-imine Traditional Name: (3-benzyl-4-chloro-6-diazenyl-7-octoxy-1,3-benzothiazol-2-ylidene)-butyl-amine Formula: C26H35ClN4OS MolecularWeight: 487.1003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=C(C=C1N=N)Cl)N(C(=NCCCC)S2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=C2C(=C(C=C1N=N)Cl)N(C(=NCCCC)S2)CC3=CC=CC=C3

InChI

InChI=1S/C26H35ClN4OS/c1-3-5-7-8-9-13-17-32-24-22(30-28)18-21(27)23-25(24)33-26(29-16-6-4-2)31(23)19-20-14-11-10-12-15-20/h10-12,14-15,18,28H,3-9,13,16-17,19H2,1-2H3